Home Carboxys 2-hydroxy-5-methyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylic acid

2-hydroxy-5-methyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylic acid

CAS No.:
1245569-58-7
Catalog Number:
AG01EKBM
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
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Product Description
Catalog Number:
AG01EKBM
Chemical Name:
2-hydroxy-5-methyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
CAS Number:
1245569-58-7
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
MDL Number:
MFCD19982373
IUPAC Name:
5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
InChI:
InChI=1S/C9H7N3O4/c1-3-2-4(8(14)15)10-6-5(3)7(13)12-9(16)11-6/h2H,1H3,(H,14,15)(H2,10,11,12,13,16)
InChI Key:
QWFSZGNCFXZWPF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c2c(n1)nc([nH]c2=O)O
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties