Home Carboxys 1H-Pyrrole-2-carboxylic acid, 3-phenyl-

1H-Pyrrole-2-carboxylic acid, 3-phenyl-

CAS No.:
802052-63-7
Catalog Number:
AG00IMB7
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
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Product Description
Catalog Number:
AG00IMB7
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-phenyl-
CAS Number:
802052-63-7
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD20645885
IUPAC Name:
3-phenyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C11H9NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChI Key:
JKPQOHQTACWXPF-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]ccc1c1ccccc1
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:
2.2  
Properties