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Home Other Building Blocks 4-CHLOROCINNAMIC ACID

4-CHLOROCINNAMIC ACID

CAS No.:
940-62-5
Catalog Number:
AG00GROC
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
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Product Description
Catalog Number:
AG00GROC
Chemical Name:
4-CHLOROCINNAMIC ACID
CAS Number:
940-62-5
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD00004396
IUPAC Name:
(E)-3-(4-chlorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChI Key:
GXLIFJYFGMHYDY-ZZXKWVIFSA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1)Cl
Properties
Complexity:
181  
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:
2.4  
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 SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Structure-activity relationships of trans-cinnamic acid derivatives on alpha-glucosidase inhibition. Bioorganic & medicinal chemistry letters 20040607
Properties