68039-39-4
3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1(3)H-INDEN-6-YL ISOBUTYRATE
Name3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1(3)H-INDEN-6-YL ISOBUTYRATE
1Identification
【Name】
3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1(3)H-INDEN-6-YL ISOBUTYRATE
【CAS】
【MDL】
MFCD00169835
【English Synonyms】
【Formula】
C14 H20 O2
【MolWeight】
220.31
【Inchi】
InChI=1S/C14H20O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3,5,8-13H,4,6-7H2,1-2H3/t9-,10?,11?,12-,13?/m1/s1
【InChIKey】
InChIKey=QNEXACLQEWOALO-IELNECDZSA-N
【SMILES】
CC(C)C(=O)OC1C[C@H]2C[C@@H]1C3C2CC=C3
【MOL File】
3A,4,5,6,7,7A-HEXAHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1(3)H-INDEN-6-YL ISOBUTYRATE.cml