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16878-14-1 | 4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 9-methyl-4-oxo-, ethyl ester
CAS No: 16878-14-1 Catalog No: AG001YAG MDL No:MFCD18430689
Product Description
Catalog Number:
AG001YAG
Chemical Name:
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 9-methyl-4-oxo-, ethyl ester
CAS Number:
16878-14-1
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD18430689
IUPAC Name:
ethyl 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
InChI:
InChI=1S/C12H12N2O3/c1-3-17-12(16)9-7-13-10-8(2)5-4-6-14(10)11(9)15/h4-7H,3H2,1-2H3
InChI Key:
ZXNPJNYRDHFJBV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2n(c1=O)cccc2C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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