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1395493-29-4 | 4H-Pyrido[1,2-a]pyrimidine-9-carboxylic acid, 4-oxo-, methyl ester
CAS No: 1395493-29-4 Catalog No: AG001B8N MDL No:
Product Description
Catalog Number:
AG001B8N
Chemical Name:
4H-Pyrido[1,2-a]pyrimidine-9-carboxylic acid, 4-oxo-, methyl ester
CAS Number:
1395493-29-4
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
methyl 4-oxopyrido[1,2-a]pyrimidine-9-carboxylate
InChI:
InChI=1S/C10H8N2O3/c1-15-10(14)7-3-2-6-12-8(13)4-5-11-9(7)12/h2-6H,1H3
InChI Key:
KJAVBANLVGEDQO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccn2c1nccc2=O
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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