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1471-85-8 | Pyrido[2,3-b]pyrazine-2-carboxylic acid, 1,2,3,4-tetrahydro-4-methyl-3-oxo-, ethyl ester
CAS No: 1471-85-8 Catalog No: AG001EMD MDL No:
Product Description
Catalog Number:
AG001EMD
Chemical Name:
Pyrido[2,3-b]pyrazine-2-carboxylic acid, 1,2,3,4-tetrahydro-4-methyl-3-oxo-, ethyl ester
CAS Number:
1471-85-8
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
IUPAC Name:
ethyl 4-methyl-3-oxo-1,2-dihydropyrido[2,3-b]pyrazine-2-carboxylate
InChI:
InChI=1S/C11H13N3O3/c1-3-17-11(16)8-10(15)14(2)9-7(13-8)5-4-6-12-9/h4-6,8,13H,3H2,1-2H3
InChI Key:
YVZPFROYTHZESM-UHFFFAOYSA-N
SMILES:
CN1C(=O)C(Nc2c1nccc2)C(=O)OCC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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