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1190313-98-4 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester
CAS No: 1190313-98-4 Catalog No: AG000HLS MDL No:MFCD12962694
Product Description
Catalog Number:
AG000HLS
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester
CAS Number:
1190313-98-4
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD12962694
IUPAC Name:
methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-4-carboxylate
InChI:
InChI=1S/C9H8N2O3/c1-14-9(13)5-2-3-10-8-6(5)4-7(12)11-8/h2-3H,4H2,1H3,(H,10,11,12)
InChI Key:
RYFNFRCPVVGOOJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc2c1CC(=O)N2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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