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methyl 4-oxobicyclo[4.1.0]heptane-1-carboxylate - 97%, high purity , CAS No.1535963-64-4

COA

Grade & Purity:

≥97%

Cas Number: 1535963-64-4
Molecular Weight: 168.19
PubChem CID: 89923624

In stock

Item Number

M629604

Grouped product items
SKU	Size	Availability	Price
M629604-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$131.90
M629604-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90
M629604-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$349.90
M629604-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$524.90
M629604-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,626.90

Basic Description

Synonyms	Methyl 4-oxobicyclo[4.1.0]heptane-1-carboxylate \| 1535963-64-4 \| SCHEMBL15415037 \| Methyl 4-oxonorcarane-1-carboxylate \| MFCD30802966 \| AKOS040767422 \| CS-0058144 \| P20501 \| Methyl4-oxobicyclo[4.1.0]heptane-1-carboxylate
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Cyclopropanecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Cyclopropanecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Cyclopropanecarboxylic acids and derivatives
Alternative Parents	Methyl esters Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Cyclopropanecarboxylic acid or derivatives - Methyl ester - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids and derivatives. These are organic compounds containing a carboxyl group (or a derivative thereof) attached to a cyclopropane ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	methyl 4-oxobicyclo[4.1.0]heptane-1-carboxylate
INCHI	InChI=1S/C9H12O3/c1-12-8(11)9-3-2-7(10)4-6(9)5-9/h6H,2-5H2,1H3
InChIKey	BOQQNXWUEPXJST-UHFFFAOYSA-N
Smiles	COC(=O)C12CCC(=O)CC1C2
Isomeric SMILES	COC(=O)C12CCC(=O)CC1C2
PubChem CID	89923624
Molecular Weight	168.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	168.190 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	168.079 Da
Monoisotopic Mass	168.079 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	246.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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