954241-09-9
5,6-DIHYDROXY-2-P-TOLYL-PYRIMIDINE-4-CARBOXYLIC ACID
Name5,6-DIHYDROXY-2-P-TOLYL-PYRIMIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
5,6-DIHYDROXY-2-P-TOLYL-PYRIMIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09701381
【English Synonyms】
【Formula】
C12 H10 N2 O4
【MolWeight】
246.221
【Inchi】
InChI=1S/C12H10N2O4/c1-6-2-4-7(5-3-6)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16)
【InChIKey】
InChIKey=WWIKOLOWSANPCN-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2nc(c(c(n2)O)O)C(=O)O
【MOL File】
5,6-DIHYDROXY-2-P-TO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,6-DIHYDROXY-2-P-TOLYL-PYRIMIDINE-4-CARBOXYLIC ACID.cml