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1227270-69-0 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-phenyl-
CAS No: 1227270-69-0 Catalog No: AG000J7B MDL No:
Product Description
Catalog Number:
AG000J7B
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-phenyl-
CAS Number:
1227270-69-0
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
6-phenyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H10N2O2/c17-14(18)11-8-16-13-6-12(15-7-10(11)13)9-4-2-1-3-5-9/h1-8,16H,(H,17,18)
InChI Key:
YBTHKLLMVZQGHY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cnc(c2)c1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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