41019-71-0
5,8A-DIMETHYL-3,4,8,8A-TETRAHYDRO-1,6-(2H,7H)-NAPHTHALENEDIONE
Name5,8A-DIMETHYL-3,4,8,8A-TETRAHYDRO-1,6-(2H,7H)-NAPHTHALENEDIONE
1Identification
【Name】
5,8A-DIMETHYL-3,4,8,8A-TETRAHYDRO-1,6-(2H,7H)-NAPHTHALENEDIONE
【CAS】
【MDL】
MFCD00167622
【English Synonyms】
【Formula】
C12 H16 O2
【MolWeight】
192.256
【Inchi】
InChI=1S/C12H16O2/c1-8-9-4-3-5-11(14)12(9,2)7-6-10(8)13/h3-7H2,1-2H3
【InChIKey】
InChIKey=YMSJMUXZPBXLSI-UHFFFAOYSA-N
【SMILES】
CC1=C2CCCC(=O)C2(CCC1=O)C
【MOL File】
5,8A-DIMETHYL-3,4,8,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5,8A-DIMETHYL-3,4,8,8A-TETRAHYDRO-1,6-(2H,7H)-NAPHTHALENEDIONE.cml