73312-15-9
4-CYANO-4-(3-METHYLPHENYL)CYCLOHEXANONE
Name4-CYANO-4-(3-METHYLPHENYL)CYCLOHEXANONE
1Identification
【Name】
4-CYANO-4-(3-METHYLPHENYL)CYCLOHEXANONE
【CAS】
【MDL】
MFCD11849771
【English Synonyms】
【Formula】
C14 H15 N O
【MolWeight】
213.279
【Inchi】
InChI=1S/C14H15NO/c1-11-3-2-4-12(9-11)14(10-15)7-5-13(16)6-8-14/h2-4,9H,5-8H2,1H3
【InChIKey】
InChIKey=RDCYDXANZMCSCF-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)C2(CCC(=O)CC2)C#N
【MOL File】
4-CYANO-4-(3-METHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CYANO-4-(3-METHYLPHENYL)CYCLOHEXANONE.cml