1227382-14-0
ETHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXATHIEPINE-4-CARBOXYLATE
NameETHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXATHIEPINE-4-CARBOXYLATE
1Identification
【Name】
ETHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXATHIEPINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD17012869
【English Synonyms】
【Formula】
C12 H12 O4 S
【MolWeight】
252.289
【Inchi】
InChI=1S/C12H12O4S/c1-2-15-12(14)11-8(13)7-16-9-5-3-4-6-10(9)17-11/h3-6,11H,2,7H2,1H3
【InChIKey】
InChIKey=FFXPCOKTAWUPMR-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1C(=O)COc2ccccc2S1
【MOL File】
ETHYL 3-OXO-3,4-DIHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXATHIEPINE-4-CARBOXYLATE.cml