861648-73-9
4-(2,3-DIHYDROTHIENO[3,4-B]-1,4-DIOXIN-5-YL)-BENZALDEHYDE
Name4-(2,3-DIHYDROTHIENO[3,4-B]-1,4-DIOXIN-5-YL)-BENZALDEHYDE
1Identification
【Name】
4-(2,3-DIHYDROTHIENO[3,4-B]-1,4-DIOXIN-5-YL)-BENZALDEHYDE
【CAS】
【MDL】
MFCD17018290
【English Synonyms】
【Formula】
C13 H10 O3 S
【MolWeight】
246.285
【Inchi】
InChI=1S/C13H10O3S/c14-7-9-1-3-10(4-2-9)13-12-11(8-17-13)15-5-6-16-12/h1-4,7-8H,5-6H2
【InChIKey】
InChIKey=QLNYREQMBWRUEI-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C=O)c2c3c(cs2)OCCO3
【MOL File】
4-(2,3-DIHYDROTHIENO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,3-DIHYDROTHIENO[3,4-B]-1,4-DIOXIN-5-YL)-BENZALDEHYDE.cml