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1190318-50-3 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-hydroxy-
CAS No: 1190318-50-3 Catalog No: AG000HSL MDL No:MFCD12963126
Product Description
Catalog Number:
AG000HSL
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-hydroxy-
CAS Number:
1190318-50-3
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD12963126
IUPAC Name:
7-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c11-5-1-2-9-6-4(8(12)13)3-10-7(5)6/h1-3,10H,(H,9,11)(H,12,13)
InChI Key:
HOWGSNWBZFOVAM-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1nccc2O
Properties
Complexity:
287
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:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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