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80360-06-1 | 2-Amino-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS No: 80360-06-1 Catalog No: AG0053N7 MDL No:
Product Description
Catalog Number:
AG0053N7
Chemical Name:
2-Amino-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS Number:
80360-06-1
Molecular Formula:
C8H6N4O3
Molecular Weight:
206.1582
IUPAC Name:
2-amino-4-oxo-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C8H6N4O3/c9-8-11-5-4(6(13)12-8)1-3(2-10-5)7(14)15/h1-2H,(H,14,15)(H3,9,10,11,12,13)
InChI Key:
GSYJCNZZTCXAKQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)c(=O)nc([nH]2)N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.161g/mol
Monoisotopic Mass:
206.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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