898785-94-9
3'-CHLORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Name3'-CHLORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
1Identification
【Name】
3'-CHLORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
【CAS】
【MDL】
MFCD03844239
【English Synonyms】
【Formula】
C17 H23 Cl O3
【MolWeight】
310.819
【Inchi】
InChI=1S/C17H23ClO3/c1-17(2)11-20-16(21-12-17)9-4-3-8-15(19)13-6-5-7-14(18)10-13/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3
【InChIKey】
InChIKey=SNQLUKJROMAYSC-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCCC(=O)c2cccc(c2)Cl)C
【MOL File】
3'-CHLORO-5-(5,5-DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3'-CHLORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE.cml