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1190316-35-8 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 2,3-dihydro-4-methyl-2-oxo-, methyl ester
CAS No: 1190316-35-8 Catalog No: AG000HP1 MDL No:
Product Description
Catalog Number:
AG000HP1
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 2,3-dihydro-4-methyl-2-oxo-, methyl ester
CAS Number:
1190316-35-8
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
methyl 4-methyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate
InChI:
InChI=1S/C10H10N2O3/c1-5-6-3-8(13)12-9(6)11-4-7(5)10(14)15-2/h4H,3H2,1-2H3,(H,11,12,13)
InChI Key:
TWVYBGMQAUBQIH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1C)CC(=O)N2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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