69785-26-8
1,2,5,6-TETRAHYDRO-6-(4-METHOXYPHENYL)-4-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
Name1,2,5,6-TETRAHYDRO-6-(4-METHOXYPHENYL)-4-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
1Identification
【Name】
1,2,5,6-TETRAHYDRO-6-(4-METHOXYPHENYL)-4-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD11519144
【English Synonyms】
【Formula】
C13 H14 N2 O4
【MolWeight】
262.264
【Inchi】
InChI=1S/C13H14N2O4/c1-7-10(12(16)17)11(15-13(18)14-7)8-3-5-9(19-2)6-4-8/h3-6,10-11H,1-2H3,(H,15,18)(H,16,17)
【InChIKey】
InChIKey=DDOJXDKILYFWEI-UHFFFAOYSA-N
【SMILES】
CC1=NC(=O)NC(C1C(=O)O)c2ccc(cc2)OC
【MOL File】
1,2,5,6-TETRAHYDRO-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,5,6-TETRAHYDRO-6-(4-METHOXYPHENYL)-4-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID.cml