1207112-16-0
4-METHYL-4-(2-PHENYLETHYNYL)-CYCLOHEXANONE
Name4-METHYL-4-(2-PHENYLETHYNYL)-CYCLOHEXANONE
1Identification
【Name】
4-METHYL-4-(2-PHENYLETHYNYL)-CYCLOHEXANONE
【CAS】
【MDL】
MFCD17013961
【English Synonyms】
【Formula】
C15 H16 O
【MolWeight】
212.29
【Inchi】
InChI=1S/C15H16O/c1-15(11-8-14(16)9-12-15)10-7-13-5-3-2-4-6-13/h2-6H,8-9,11-12H2,1H3
【InChIKey】
InChIKey=UGMQKGBIMIEGOQ-UHFFFAOYSA-N
【SMILES】
CC1(CCC(=O)CC1)C#Cc2ccccc2
【MOL File】
4-METHYL-4-(2-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-4-(2-PHENYLETHYNYL)-CYCLOHEXANONE.cml