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Methyl 2-Chloro-2-Cyclopropylideneacetate - ≥98%, high purity , CAS No.82979-45-1

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
M697577
Grouped product items
SKU Size
Availability
 Price Qty
M697577-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$505.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Specifications & Purity ≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Carboxylic acid derivatives
Intermediate Tree Nodes Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
Direct Parent Enoate esters
Alternative Parents Methyl esters  Alpha-halocarboxylic acid derivatives  Vinyl chlorides  Monocarboxylic acids and derivatives  Chloroalkenes  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aliphatic homomonocyclic compounds
Substituents Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Enoate ester - Monocarboxylic acid or derivatives - Vinyl chloride - Vinyl halide - Chloroalkene - Haloalkene - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
External Descriptors Not available

Associated Targets(Human)

A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DLD-1 (17511 Activities)
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DMS-273 (14108 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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SNB-78 (14240 Activities)
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TK-10 (45540 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
XF498 (12972 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HOP-92 (41141 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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KM-20L2 (14967 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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LXFL 529 (14112 Activities)
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M19-MEL (15326 Activities)
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Malme-3M (44254 Activities)
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SNB-75 (44215 Activities)
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NCI-H226 (44470 Activities)
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NCI-H23 (49055 Activities)
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Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name methyl 2-chloro-2-cyclopropylideneacetate
INCHI InChI=1S/C6H7ClO2/c1-9-6(8)5(7)4-2-3-4/h2-3H2,1H3
InChIKey JHISBEHOSHGCCJ-UHFFFAOYSA-N
Smiles COC(=O)C(=C1CC1)Cl
Isomeric SMILES COC(=O)C(=C1CC1)Cl
Alternate CAS 82979-45-1
PubChem CID 370750
NSC Number 644273
MeSH Entry Terms methyl 2-chloro-2-cyclopropylideneacetate

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 146.570 g/mol
XLogP3 1.300
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 146.013 Da
Monoisotopic Mass 146.013 Da
Topological Polar Surface Area 26.300 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 166.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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