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1190319-78-8 | 1H-Pyrrolo[2,3-c]pyridine-4-carboxylic acid, 2,3-dihydro-2-oxo-
CAS No: 1190319-78-8 Catalog No: AG000HV6 MDL No:
Product Description
Catalog Number:
AG000HV6
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-4-carboxylic acid, 2,3-dihydro-2-oxo-
CAS Number:
1190319-78-8
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
IUPAC Name:
2-oxo-1,3-dihydropyrrolo[2,3-c]pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c11-7-1-4-5(8(12)13)2-9-3-6(4)10-7/h2-3H,1H2,(H,10,11)(H,12,13)
InChI Key:
KWVLSRXNMGSYMT-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1)cncc2C(=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:
-0.8
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