2-(5-CYANO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-BENZOIC ACID

CAS No.
CCD No.
CCD03286583
Formula
C12 H7 N3 O4
MolWeight
257.204

Basic Information

Product Name: 2-(5-CYANO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-BENZOIC ACID
English Synonyms: 2-(5-CYANO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-BENZOIC ACID
MDL Number.: MFCD17015127
H bond acceptor: 7
H bond donor: 2
Smile: c1ccc(c(c1)C(=O)O)n2cc(c(=O)[nH]c2=O)C#N
InChi: InChI=1S/C12H7N3O4/c13-5-7-6-15(12(19)14-10(7)16)9-4-2-1-3-8(9)11(17)18/h1-4,6H,(H,17,18)(H,14,16,19)
InChiKey: InChIKey=CQLBKDMAZDROHF-UHFFFAOYSA-N