896989-16-5
(2-BENZYL-4-METHYL-6-OXO-1,6-DIHYDROPYRIMIDIN-5-YL)ACETIC ACID
Name(2-BENZYL-4-METHYL-6-OXO-1,6-DIHYDROPYRIMIDIN-5-YL)ACETIC ACID
1Identification
【Name】
(2-BENZYL-4-METHYL-6-OXO-1,6-DIHYDROPYRIMIDIN-5-YL)ACETIC ACID
【CAS】
【MDL】
MFCD09754873
【English Synonyms】
【Formula】
C14 H14 N2 O3
【MolWeight】
258.276
【Inchi】
InChI=1S/C14H14N2O3/c1-9-11(8-13(17)18)14(19)16-12(15-9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)(H,15,16,19)
【InChIKey】
InChIKey=IOIPAZHVXWMMEB-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)[nH]c(n1)Cc2ccccc2)CC(=O)O
【MOL File】
(2-BENZYL-4-METHYL-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-BENZYL-4-METHYL-6-OXO-1,6-DIHYDROPYRIMIDIN-5-YL)ACETIC ACID.cml