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1011-92-3 | 2-Propenoic acid, 2-cyano-3-phenyl-
CAS No: 1011-92-3 Catalog No: AG0003RC MDL No:MFCD00016813
Product Description
Catalog Number:
AG0003RC
Chemical Name:
2-Propenoic acid, 2-cyano-3-phenyl-
CAS Number:
1011-92-3
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD00016813
IUPAC Name:
2-cyano-3-phenylprop-2-enoic acid
InChI:
InChI=1S/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)
InChI Key:
CDUQMGQIHYISOP-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccccc1)C(=O)O
EC Number:
213-788-8
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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