58345-05-4
1-(2-CHLORO-4,5-METHYLENEDIOXYPHENYL)-6-METHYL-1-HEPTEN-3-OL
Name1-(2-CHLORO-4,5-METHYLENEDIOXYPHENYL)-6-METHYL-1-HEPTEN-3-OL
1Identification
【Name】
1-(2-CHLORO-4,5-METHYLENEDIOXYPHENYL)-6-METHYL-1-HEPTEN-3-OL
【CAS】
【MDL】
MFCD01723590
【English Synonyms】
【Formula】
C15 H19 Cl O3
【MolWeight】
282.765
【Inchi】
InChI=1S/C15H19ClO3/c1-10(2)3-5-12(17)6-4-11-7-14-15(8-13(11)16)19-9-18-14/h4,6-8,10,12,17H,3,5,9H2,1-2H3/b6-4+
【InChIKey】
InChIKey=LCLWFMKTPZFRJQ-GQCTYLIASA-N
【SMILES】
CC(C)CCC(/C=C/c1cc2c(cc1Cl)OCO2)O
【MOL File】
1-(2-CHLORO-4,5-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-CHLORO-4,5-METHYLENEDIOXYPHENYL)-6-METHYL-1-HEPTEN-3-OL.cml