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4-(2-(methoxycarbonyl)cyclopropyl)benzoic acid - ≥95%, high purity , CAS No.1057107-39-7

COA

Grade & Purity:

≥95%

Cas Number: 1057107-39-7
Molecular Weight: 220.22
PubChem CID: 59205706

In stock

Item Number

C734396

Grouped product items
SKU	Size	Availability	Price	Qty
C734396-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,073.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Benzoyl derivatives Cyclopropanecarboxylic acids and derivatives Methyl esters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Benzoyl - Cyclopropanecarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
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	4-(2-methoxycarbonylcyclopropyl)benzoic acid
INCHI	InChI=1S/C12H12O4/c1-16-12(15)10-6-9(10)7-2-4-8(5-3-7)11(13)14/h2-5,9-10H,6H2,1H3,(H,13,14)
InChIKey	CNRLZWCRQCKPSD-UHFFFAOYSA-N
Smiles	COC(=O)C1CC1C2=CC=C(C=C2)C(=O)O
Isomeric SMILES	COC(=O)C1CC1C2=CC=C(C=C2)C(=O)O
PubChem CID	59205706
Molecular Weight	220.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	220.220 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	220.074 Da
Monoisotopic Mass	220.074 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	291.000
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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4-(2-(methoxycarbonyl)cyclopropyl)benzoic acid - ≥95%, high purity , CAS No.1057107-39-7

Basic Description