58344-55-1
6-METHYL-1-(3,4-METHYLENEDIOXYPHENYL)-1-HEPTEN-3-ONE
Name6-METHYL-1-(3,4-METHYLENEDIOXYPHENYL)-1-HEPTEN-3-ONE
1Identification
【Name】
6-METHYL-1-(3,4-METHYLENEDIOXYPHENYL)-1-HEPTEN-3-ONE
【CAS】
【MDL】
MFCD01723601
【English Synonyms】
【Formula】
C15 H18 O3
【MolWeight】
246.304
【Inchi】
InChI=1S/C15H18O3/c1-11(2)3-6-13(16)7-4-12-5-8-14-15(9-12)18-10-17-14/h4-5,7-9,11H,3,6,10H2,1-2H3/b7-4+
【InChIKey】
InChIKey=IBXZUVNPXSUMCU-QPJJXVBHSA-N
【SMILES】
CC(C)CCC(=O)/C=C/c1ccc2c(c1)OCO2
【MOL File】
6-METHYL-1-(3,4-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-1-(3,4-METHYLENEDIOXYPHENYL)-1-HEPTEN-3-ONE.cml