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

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

CAS No.:
14473-90-6
Catalog Number:
AG001K2P
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
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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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties