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1260665-66-4 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 2,3-dihydro-2-oxo-
CAS No: 1260665-66-4 Catalog No: AG000R0F MDL No:MFCD18250900
Product Description
Catalog Number:
AG000R0F
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 2,3-dihydro-2-oxo-
CAS Number:
1260665-66-4
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD18250900
IUPAC Name:
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c11-6-2-4-1-5(8(12)13)3-9-7(4)10-6/h1,3H,2H2,(H,12,13)(H,9,10,11)
InChI Key:
BYZOIYCXPDKZRR-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)cc(cn2)C(=O)O
Properties
Complexity:
254
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:
2
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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