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1190313-23-5 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 6-hydroxy-
CAS No: 1190313-23-5 Catalog No: AG000HK4 MDL No:
Product Description
Catalog Number:
AG000HK4
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 6-hydroxy-
CAS Number:
1190313-23-5
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
IUPAC Name:
6-hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c11-4-1-6-7(10-2-4)5(3-9-6)8(12)13/h1-3,9,11H,(H,12,13)
InChI Key:
DNNOAQPDCIOAOZ-UHFFFAOYSA-N
SMILES:
Oc1cnc2c(c1)[nH]cc2C(=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:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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