76974-79-3
(3AR*,8BS*,E)-3-(((R*)-4-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YLOXY)METHYLENE)-3,3A,4,8B-TETRAHYDRO-2H-INDENO[1,2-B]FURAN-2-ONE
Name(3AR*,8BS*,E)-3-(((R*)-4-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YLOXY)METHYLENE)-3,3A,4,8B-TETRAHYDRO-2H-INDENO[1,2-B]FURAN-2-ONE
1Identification
【Name】
(3AR*,8BS*,E)-3-(((R*)-4-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YLOXY)METHYLENE)-3,3A,4,8B-TETRAHYDRO-2H-INDENO[1,2-B]FURAN-2-ONE
【CAS】
【MDL】
MFCD12405021
【English Synonyms】
【Formula】
C17 H14 O5
【MolWeight】
298.293
【Inchi】
InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14+,15-/m1/s1
【InChIKey】
InChIKey=XHSDUVBUZOUAOQ-IMBONUEFSA-N
【SMILES】
CC1=C[C@H](OC1=O)O/C=C/2\[C@H]3Cc4ccccc4[C@H]3OC2=O
【MOL File】
(3AR*,8BS*,E)-3-(((R….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3AR*,8BS*,E)-3-(((R*)-4-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YLOXY)METHYLENE)-3,3A,4,8B-TETRAHYDRO-2H-INDENO[1,2-B]FURAN-2-ONE.cml