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132040-12-1 | 1H-Pyrrole-3-carboxylic acid, 4-phenyl-
CAS No: 132040-12-1 Catalog No: AG001046 MDL No:MFCD06411253
Product Description
Catalog Number:
AG001046
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 4-phenyl-
CAS Number:
132040-12-1
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD06411253
IUPAC Name:
4-phenyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C11H9NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChI Key:
IZAUZUSKFWENMY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]cc1c1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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