103300-84-1
(S)-BENZYL 2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLATE
Name(S)-BENZYL 2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLATE
1Identification
【Name】
(S)-BENZYL 2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD10687080
【English Synonyms】
【Formula】
C12 H12 N2 O4
【MolWeight】
248.237
【Inchi】
InChI=1S/C12H12N2O4/c15-10-6-9(13-12(17)14-10)11(16)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,14,15,17)/t9-/m0/s1
【InChIKey】
InChIKey=BNGIAHPVSBKYAG-VIFPVBQESA-N
【SMILES】
c1ccc(cc1)COC(=O)[C@@H]2CC(=O)NC(=O)N2
【MOL File】
(S)-BENZYL 2,6-DIOXO….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
(S)-BENZYL 2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLATE.cml