Home Other Building Blocks 3-phenylbut-2-enoic acid (E/Z mixture)

3-phenylbut-2-enoic acid (E/Z mixture)

CAS No.:
1199-20-8
Catalog Number:
AG000PU2
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
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Product Description
Catalog Number:
AG000PU2
Chemical Name:
3-phenylbut-2-enoic acid (E/Z mixture)
CAS Number:
1199-20-8
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00053500
IUPAC Name:
(E)-3-phenylbut-2-enoic acid
InChI:
InChI=1S/C10H10O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
InChI Key:
PEXWJYDPDXUVSV-BQYQJAHWSA-N
SMILES:
CC(=CC(=O)O)c1ccccc1
Properties
Complexity:
188  
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