3098-38-2
1-(3-ACETYL-2,4-DIHYDROXY-6-METHOXYPHENYL)ETHAN-1-ONE
Name1-(3-ACETYL-2,4-DIHYDROXY-6-METHOXYPHENYL)ETHAN-1-ONE
1Identification
【Name】
1-(3-ACETYL-2,4-DIHYDROXY-6-METHOXYPHENYL)ETHAN-1-ONE
【CAS】
【MDL】
MFCD00100564
【English Synonyms】
【Formula】
C11 H12 O5
【MolWeight】
224.211
【Inchi】
InChI=1S/C11H12O5/c1-5(12)9-7(14)4-8(16-3)10(6(2)13)11(9)15/h4,14-15H,1-3H3
【InChIKey】
InChIKey=ZUQRDBCPZDOGMJ-UHFFFAOYSA-N
【SMILES】
CC(=O)c1c(cc(c(c1O)C(=O)C)OC)O
【MOL File】
1-(3-ACETYL-2,4-DIHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-ACETYL-2,4-DIHYDROXY-6-METHOXYPHENYL)ETHAN-1-ONE.cml