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1190314-55-6 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4,5-dihydro-4-oxo-
CAS No: 1190314-55-6 Catalog No: AG000HMB MDL No:
Product Description
Catalog Number:
AG000HMB
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4,5-dihydro-4-oxo-
CAS Number:
1190314-55-6
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
IUPAC Name:
4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c11-7-6-4(8(12)13)3-10-5(6)1-2-9-7/h1-3,10H,(H,9,11)(H,12,13)
InChI Key:
KLGWJJMAKWKOGD-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(=O)[nH]cc2
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:
-0.3
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