56290-55-2
1-(2,5-DIMETHYLPHENYL)BUTANE-1,3-DIONE
Name1-(2,5-DIMETHYLPHENYL)BUTANE-1,3-DIONE
1Identification
【Name】
1-(2,5-DIMETHYLPHENYL)BUTANE-1,3-DIONE
【CAS】
【MDL】
MFCD09996603
【English Synonyms】
【Formula】
C12 H14 O2
【MolWeight】
190.241
【Inchi】
InChI=1S/C12H14O2/c1-8-4-5-9(2)11(6-8)12(14)7-10(3)13/h4-6H,7H2,1-3H3
【InChIKey】
InChIKey=UHQZCRVBLDQGFH-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C(=O)CC(=O)C)C
【MOL File】
1-(2,5-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,5-DIMETHYLPHENYL)BUTANE-1,3-DIONE.cml