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1190313-15-5 | 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 2-methyl-
CAS No: 1190313-15-5 Catalog No: AG000HK9 MDL No:
Product Description
Catalog Number:
AG000HK9
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 2-methyl-
CAS Number:
1190313-15-5
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-2-7-8(11-5)3-6(4-10-7)9(12)13/h2-4,11H,1H3,(H,12,13)
InChI Key:
TXBZMNCJUSNWPK-UHFFFAOYSA-N
SMILES:
Cc1cc2c([nH]1)cc(cn2)C(=O)O
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:
1
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