Home Carboxys 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid

2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid

CAS No.:
5441-73-6
Catalog Number:
AG01ADZQ
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
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Product Description
Catalog Number:
AG01ADZQ
Chemical Name:
2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CAS Number:
5441-73-6
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD16304976
IUPAC Name:
2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c1-8-10(12(14)15)7-11(13-8)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,14,15)
InChI Key:
XDXKXRVCTYULQN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc([nH]c1C)c1ccccc1
NSC Number:
20995
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties