76934-82-2
4-CYANO-4-(3,4-METHYLENEDIOXYPHENYL)CYCLOHEXANONE
Name4-CYANO-4-(3,4-METHYLENEDIOXYPHENYL)CYCLOHEXANONE
1Identification
【Name】
4-CYANO-4-(3,4-METHYLENEDIOXYPHENYL)CYCLOHEXANONE
【CAS】
【MDL】
MFCD11849772
【English Synonyms】
【Formula】
C14 H13 N O3
【MolWeight】
243.261
【Inchi】
InChI=1S/C14H13NO3/c15-8-14(5-3-11(16)4-6-14)10-1-2-12-13(7-10)18-9-17-12/h1-2,7H,3-6,9H2
【InChIKey】
InChIKey=UXUMSGREKPIVCL-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1C3(CCC(=O)CC3)C#N)OCO2
【MOL File】
4-CYANO-4-(3,4-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-CYANO-4-(3,4-METHYLENEDIOXYPHENYL)CYCLOHEXANONE.cml