75631-42-4
1-(5-ACETYL-3-ALLYL-2,4-DIHYDROXYPHENYL)ETHAN-1-ONE
Name1-(5-ACETYL-3-ALLYL-2,4-DIHYDROXYPHENYL)ETHAN-1-ONE
1Identification
【Name】
1-(5-ACETYL-3-ALLYL-2,4-DIHYDROXYPHENYL)ETHAN-1-ONE
【CAS】
【MDL】
MFCD00100638
【English Synonyms】
【Formula】
C13 H14 O4
【MolWeight】
234.25
【Inchi】
InChI=1S/C13H14O4/c1-4-5-9-12(16)10(7(2)14)6-11(8(3)15)13(9)17/h4,6,16-17H,1,5H2,2-3H3
【InChIKey】
InChIKey=RSAMPULHTARIED-UHFFFAOYSA-N
【SMILES】
CC(=O)c1cc(c(c(c1O)CC=C)O)C(=O)C
【MOL File】
1-(5-ACETYL-3-ALLYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(5-ACETYL-3-ALLYL-2,4-DIHYDROXYPHENYL)ETHAN-1-ONE.cml