29668-47-1
1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-BUTANONE
Name1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-BUTANONE
1Identification
【Name】
1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-BUTANONE
【CAS】
【MDL】
MFCD02601787
【English Synonyms】
【Formula】
C12 H14 O3
【MolWeight】
206.24
【Inchi】
InChI=1S/C12H14O3/c1-2-3-10(13)9-4-5-11-12(8-9)15-7-6-14-11/h4-5,8H,2-3,6-7H2,1H3
【InChIKey】
InChIKey=XSWZTOLEGWPAAA-UHFFFAOYSA-N
【SMILES】
CCCC(=O)c1ccc2c(c1)OCCO2
【MOL File】
1-(2,3-DIHYDRO-1,4-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-BUTANONE.cml