54889-02-0
4-METHYL-4-(PHENYLMETHYL)-CYCLOHEXANONE
Name4-METHYL-4-(PHENYLMETHYL)-CYCLOHEXANONE
1Identification
【Name】
4-METHYL-4-(PHENYLMETHYL)-CYCLOHEXANONE
【CAS】
【MDL】
MFCD17013924
【English Synonyms】
【Formula】
C14 H18 O
【MolWeight】
202.295
【Inchi】
InChI=1S/C14H18O/c1-14(9-7-13(15)8-10-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
【InChIKey】
InChIKey=QTEIPGHFGRLGHG-UHFFFAOYSA-N
【SMILES】
CC1(CCC(=O)CC1)Cc2ccccc2
【MOL File】
4-METHYL-4-(PHENYLME….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
4-METHYL-4-(PHENYLMETHYL)-CYCLOHEXANONE.cml