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1190318-74-1 | 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 2,3-dihydro-2-oxo-
CAS No: 1190318-74-1 Catalog No: AG000HTL MDL No:
Product Description
Catalog Number:
AG000HTL
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 2,3-dihydro-2-oxo-
CAS Number:
1190318-74-1
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
IUPAC Name:
2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c11-7-2-5-6(10-7)1-4(3-9-5)8(12)13/h1,3H,2H2,(H,10,11)(H,12,13)
InChI Key:
CGYZCBDNBHYSSU-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1)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:
-0.7
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