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1167055-45-9 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 7-methyl-
CAS No: 1167055-45-9 Catalog No: AG000D15 MDL No:
Product Description
Catalog Number:
AG000D15
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 7-methyl-
CAS Number:
1167055-45-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
7-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-8-6(2-3-10-5)7(4-11-8)9(12)13/h2-4,11H,1H3,(H,12,13)
InChI Key:
XWQRCUXXPFOGNE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1ccnc2C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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