2047-21-4
1-(3,4,5-TRIMETHYLPHENYL)-ETHANONE
Name1-(3,4,5-TRIMETHYLPHENYL)-ETHANONE
1Identification
【Name】
1-(3,4,5-TRIMETHYLPHENYL)-ETHANONE
【CAS】
【MDL】
MFCD17015365
【English Synonyms】
【Formula】
C11 H14 O
【MolWeight】
162.231
【Inchi】
InChI=1S/C11H14O/c1-7-5-11(10(4)12)6-8(2)9(7)3/h5-6H,1-4H3
【InChIKey】
InChIKey=GTJJJBGBQYTRFV-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1C)C)C(=O)C
【MOL File】
1-(3,4,5-TRIMETHYLPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3,4,5-TRIMETHYLPHENYL)-ETHANONE.cml