CAS 14473-90-6 | 2-Propenoic acid, 3-(3-chlorophenyl)-, (2E)- | CAS Number 14473-90-6

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14473-90-6 | 2-Propenoic acid, 3-(3-chlorophenyl)-, (2E)-

CAS No: 14473-90-6 Catalog No: AG001K2P MDL No:MFCD00004384

Product Description

Catalog Number:

AG001K2P

Chemical Name:

2-Propenoic acid, 3-(3-chlorophenyl)-, (2E)-

CAS Number:

14473-90-6

Molecular Formula:

C9H7ClO2

Molecular Weight:

182.6037

MDL Number:

MFCD00004384

IUPAC Name:

(E)-3-(3-chlorophenyl)prop-2-enoic acid

InChI:

InChI=1S/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+

InChI Key:

FFKGOJWPSXRALK-SNAWJCMRSA-N

SMILES:

OC(=O)/C=C/c1cccc(c1)Cl

Properties

Complexity:

189

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.603g/mol

Monoisotopic Mass:

182.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).	Bioorganic & medicinal chemistry letters 20110501
Synthesis and structure--activity relationships of substituted cinnamic acids and amide analogues: a new class of herbicides.	Journal of agricultural and food chemistry 20090422