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1190313-05-3 | 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 3-amino-
CAS No: 1190313-05-3 Catalog No: AG000HKF MDL No:
Product Description
Catalog Number:
AG000HKF
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 3-amino-
CAS Number:
1190313-05-3
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
3-amino-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c9-5-3-10-6-1-4(8(12)13)2-11-7(5)6/h1-3,10H,9H2,(H,12,13)
InChI Key:
QBDZOCFHIQYVQY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)[nH]cc2N
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:
-0.1
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