519032-07-6
2-BENZYL-5,6-DIHYDROXY-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
Name2-BENZYL-5,6-DIHYDROXY-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
2-BENZYL-5,6-DIHYDROXY-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09031861
【English Synonyms】
【Formula】
C13 H12 N2 O4
【MolWeight】
260.248
【Inchi】
InChI=1S/C13H12N2O4/c1-19-13(18)10-11(16)12(17)15-9(14-10)7-8-5-3-2-4-6-8/h2-6,16H,7H2,1H3,(H,14,15,17)
【InChIKey】
InChIKey=MGZAUOBOIKCIEW-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c(c(nc(n1)Cc2ccccc2)O)O
【MOL File】
2-BENZYL-5,6-DIHYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BENZYL-5,6-DIHYDROXY-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER.cml