248595-14-4
1-(3,4-DIHYDROXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE
Name1-(3,4-DIHYDROXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE
1Identification
【Name】
1-(3,4-DIHYDROXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE
【CAS】
【MDL】
MFCD00100618
【English Synonyms】
【Formula】
C12 H14 O3
【MolWeight】
206.24
【Inchi】
InChI=1S/C12H14O3/c1-7(13)10-6-8-4-2-3-5-9(8)11(14)12(10)15/h6,14-15H,2-5H2,1H3
【InChIKey】
InChIKey=LBAAPONJCKJUQM-UHFFFAOYSA-N
【SMILES】
CC(=O)c1cc2c(c(c1O)O)CCCC2
【MOL File】
1-(3,4-DIHYDROXY-5,6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3,4-DIHYDROXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE.cml