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1190317-24-8 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 6,7-dihydro-7-oxo-
CAS No: 1190317-24-8 Catalog No: AG000HQG MDL No:
Product Description
Catalog Number:
AG000HQG
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 6,7-dihydro-7-oxo-
CAS Number:
1190317-24-8
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
IUPAC Name:
7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c11-7-6-4(1-2-9-7)5(3-10-6)8(12)13/h1-3,10H,(H,9,11)(H,12,13)
InChI Key:
DQWAJFZLENIDQE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cc[nH]c2=O
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:
3
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
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