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3-(2-(Methoxycarbonyl)phenyl)propanoic acid - ≥95%, high purity , CAS No.81329-74-0

COA

Grade & Purity:

≥95%

Cas Number: 81329-74-0
Molecular Weight: 208.21
PubChem CID: 10398133

In stock

Item Number

P710718

Grouped product items
SKU	Size	Availability	Price	Qty
P710718-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,396.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Phenylpropanoic acids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Phenylpropanoic acids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanoic acids
Alternative Parents	Benzoic acid esters Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-phenylpropanoic-acid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
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	3-(2-methoxycarbonylphenyl)propanoic acid
INCHI	InChI=1S/C11H12O4/c1-15-11(14)9-5-3-2-4-8(9)6-7-10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey	RRQCXVACIPBWHE-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=CC=C1CCC(=O)O
Isomeric SMILES	COC(=O)C1=CC=CC=C1CCC(=O)O
PubChem CID	10398133
Molecular Weight	208.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	208.210 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	208.074 Da
Monoisotopic Mass	208.074 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237.000
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

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3-(2-(Methoxycarbonyl)phenyl)propanoic acid - ≥95%, high purity , CAS No.81329-74-0

Basic Description