Home Carboxys 1-benzyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

1-benzyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

CAS No.:
937632-70-7
Catalog Number:
AG019UL9
Molecular Formula:
C15H11N3O4
Molecular Weight:
297.2655
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Product Description
Catalog Number:
AG019UL9
Chemical Name:
1-benzyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS Number:
937632-70-7
Molecular Formula:
C15H11N3O4
Molecular Weight:
297.2655
MDL Number:
MFCD09051068
IUPAC Name:
1-benzyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C15H11N3O4/c19-13-11-6-10(14(20)21)7-16-12(11)18(15(22)17-13)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,20,21)(H,17,19,22)
InChI Key:
CNOOSIOPWIHWIA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2Cc1ccccc1
Properties
Complexity:
475  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.075g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.27g/mol
Monoisotopic Mass:
297.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties