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803624-36-4 | 2H-Pyrrole-2-carboxylicacid, 3,4-dihydro-5-methyl-2-phenyl-
CAS No: 803624-36-4 Catalog No: AG005BH2 MDL No:
Product Description
Catalog Number:
AG005BH2
Chemical Name:
2H-Pyrrole-2-carboxylicacid, 3,4-dihydro-5-methyl-2-phenyl-
CAS Number:
803624-36-4
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
5-methyl-2-phenyl-3,4-dihydropyrrole-2-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-9-7-8-12(13-9,11(14)15)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,15)
InChI Key:
KWLGOZWGMKYGBV-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCC(=N1)C)c1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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