68039-44-1
3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1(3)H-INDEN-6-YL 2,2-DIMETHYLPROPANOATE
Name3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1(3)H-INDEN-6-YL 2,2-DIMETHYLPROPANOATE
1Identification
【Name】
3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1(3)H-INDEN-6-YL 2,2-DIMETHYLPROPANOATE
【CAS】
【MDL】
MFCD00169849
【English Synonyms】
【Formula】
C15 H22 O2
【MolWeight】
234.337
【Inchi】
InChI=1S/C15H22O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h4,6,9-13H,5,7-8H2,1-3H3/t9-,10?,11?,12-,13?/m1/s1
【InChIKey】
InChIKey=SARNDXMIYRKJOG-IELNECDZSA-N
【SMILES】
CC(C)(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
XLogP3:4.0
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 2,2-DIMETHYLPROPANOATE.cml