842126-02-7
2H-CYCLOPENTA[B]FURAN-2-ONE,4-(1,3-DIOXOLAN-2-YL)HEXAHYDRO-,(3AR,4S,6AS)-REL-
Name2H-CYCLOPENTA[B]FURAN-2-ONE,4-(1,3-DIOXOLAN-2-YL)HEXAHYDRO-,(3AR,4S,6AS)-REL-
1Identification
【Name】
2H-CYCLOPENTA[B]FURAN-2-ONE,4-(1,3-DIOXOLAN-2-YL)HEXAHYDRO-,(3AR,4S,6AS)-REL-
【CAS】
【MDL】
MFCD17017861
【English Synonyms】
【Formula】
C10H14O4
【MolWeight】
198.217
【Inchi】
InChI=1S/C10H14O4/c11-9-5-7-6(1-2-8(7)14-9)10-12-3-4-13-10/h6-8,10H,1-5H2/t6-,7-,8+/m1/s1
【InChIKey】
InChIKey=MLIULNVZBAUDCV-PRJMDXOYSA-N
【SMILES】
[H][C@]12CC[C@@H](C3OCCO3)[C@@]1([H])CC(=O)O2
【MOL File】
2H-CYCLOPENTA[B]FURA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:-0.2298
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-CYCLOPENTA[B]FURAN-2-ONE,4-(1,3-DIOXOLAN-2-YL)HEXAHYDRO-,(3AR,4S,6AS)-REL-.cml