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1227268-70-3 | 1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester
CAS No: 1227268-70-3 Catalog No: AG000J3M MDL No:MFCD16876012
Product Description
Catalog Number:
AG000J3M
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester
CAS Number:
1227268-70-3
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD16876012
IUPAC Name:
methyl 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylate
InChI:
InChI=1S/C9H8N2O3/c1-14-9(13)6-3-2-5-4-7(12)11-8(5)10-6/h2-3H,4H2,1H3,(H,10,11,12)
InChI Key:
JJASDLYRCPMUAM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(n1)NC(=O)C2
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:
0.2
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