54185-33-0
4-(2,4,6-TRIOXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BENZOIC ACID
Name4-(2,4,6-TRIOXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BENZOIC ACID
1Identification
【Name】
4-(2,4,6-TRIOXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BENZOIC ACID
【CAS】
【MDL】
MFCD00845866
【English Synonyms】
【Formula】
C11 H8 N2 O5
【MolWeight】
248.193
【Inchi】
InChI=1S/C11H8N2O5/c14-8-5-9(15)13(11(18)12-8)7-3-1-6(2-4-7)10(16)17/h1-4H,5H2,(H,16,17)(H,12,14,18)
【InChIKey】
InChIKey=SKYMCNSGBAFSNC-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)N2C(=O)CC(=O)NC2=O
【MOL File】
4-(2,4,6-TRIOXO-TETR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,4,6-TRIOXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BENZOIC ACID.cml