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131924-69-1 | 1H-Pyrrole-3-carboxylic acid, 1-methyl-4-phenyl-
CAS No: 131924-69-1 Catalog No: AG000ZXP MDL No:
Product Description
Catalog Number:
AG000ZXP
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 1-methyl-4-phenyl-
CAS Number:
131924-69-1
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
1-methyl-4-phenylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c1-13-7-10(11(8-13)12(14)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChI Key:
JOGNYKUEAKNOTH-UHFFFAOYSA-N
SMILES:
Cn1cc(c(c1)c1ccccc1)C(=O)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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