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1237537-34-6 | Pyrido[2,3-d]pyriMidine-4-carboxylic acid, 5,6,7,8-tetrahydro-7-oxo-, Methyl ester
CAS No: 1237537-34-6 Catalog No: AG000L1H MDL No:
Product Description
Catalog Number:
AG000L1H
Chemical Name:
Pyrido[2,3-d]pyriMidine-4-carboxylic acid, 5,6,7,8-tetrahydro-7-oxo-, Methyl ester
CAS Number:
1237537-34-6
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
IUPAC Name:
methyl 7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxylate
InChI:
InChI=1S/C9H9N3O3/c1-15-9(14)7-5-2-3-6(13)12-8(5)11-4-10-7/h4H,2-3H2,1H3,(H,10,11,12,13)
InChI Key:
ZGZVQXSIJZTRJO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncnc2c1CCC(=O)N2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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