112930-58-2
(E)-3-(6,11-DIHYDRODIBENZO(B,E)THIEPIN-11-YLIDENE)PROPIONIC ACID
Name(E)-3-(6,11-DIHYDRODIBENZO(B,E)THIEPIN-11-YLIDENE)PROPIONIC ACID
1Identification
【Name】
(E)-3-(6,11-DIHYDRODIBENZO(B,E)THIEPIN-11-YLIDENE)PROPIONIC ACID
【CAS】
【MDL】
MFCD01697492
【English Synonyms】
【Formula】
C17 H14 O2 S
【MolWeight】
282.362
【Inchi】
InChI=1S/C17H14O2S/c18-17(19)10-9-14-13-6-2-1-5-12(13)11-20-16-8-4-3-7-15(14)16/h1-9H,10-11H2,(H,18,19)/b14-9+
【InChIKey】
InChIKey=KZYGZHLREIDBJJ-NTEUORMPSA-N
【SMILES】
c1ccc\2c(c1)CSc3ccccc3/C2=C/CC(=O)O
【MOL File】
(E)-3-(6,11-DIHYDROD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-3-(6,11-DIHYDRODIBENZO(B,E)THIEPIN-11-YLIDENE)PROPIONIC ACID.cml