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Home Other Building Blocks (2E)-3-(4-methylphenyl)acrylic acid

(2E)-3-(4-methylphenyl)acrylic acid

CAS No.:
940-61-4
Catalog Number:
AG0038IJ
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
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Purity
Availability
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Quantity
  
5g
95%
In Stock USA
United States
$316
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Product Description
Catalog Number:
AG0038IJ
Chemical Name:
(2E)-3-(4-methylphenyl)acrylic acid
CAS Number:
940-61-4
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00002697
IUPAC Name:
(E)-3-(4-methylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
InChI Key:
RURHILYUWQEGOS-VOTSOKGWSA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1)C
EC Number:
217-479-9
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A). Bioorganic & medicinal chemistry letters 20110501
Properties