51065-67-9
(3AR,7AR)-3A-HYDROXY-7A-METHYL-HEXAHYDRO-6H-INDENE-1,5-DIONE
Name(3AR,7AR)-3A-HYDROXY-7A-METHYL-HEXAHYDRO-6H-INDENE-1,5-DIONE
1Identification
【Name】
(3AR,7AR)-3A-HYDROXY-7A-METHYL-HEXAHYDRO-6H-INDENE-1,5-DIONE
【CAS】
【MDL】
MFCD12911940
【English Synonyms】
【Formula】
C10 H14 O3
【MolWeight】
182.218
【Inchi】
InChI=1S/C10H14O3/c1-9-4-2-7(11)6-10(9,13)5-3-8(9)12/h13H,2-6H2,1H3/t9-,10+/m0/s1
【InChIKey】
InChIKey=PUHCDQVSBDIJTM-VHSXEESVSA-N
【SMILES】
C[C@@]12CCC(=O)C[C@@]1(CCC2=O)O
【MOL File】
(3AR,7AR)-3A-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3AR,7AR)-3A-HYDROXY-7A-METHYL-HEXAHYDRO-6H-INDENE-1,5-DIONE.cml