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1190317-13-5 | 1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-amino-
CAS No: 1190317-13-5 Catalog No: AG000HQN MDL No:
Product Description
Catalog Number:
AG000HQN
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-amino-
CAS Number:
1190317-13-5
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
3-amino-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c9-4-3-10-5-1-2-6(8(12)13)11-7(4)5/h1-3,10H,9H2,(H,12,13)
InChI Key:
HYVCOYXHHGQHOD-UHFFFAOYSA-N
SMILES:
Nc1c[nH]c2c1nc(cc2)C(=O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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