1509-06-4
1-(2,4,6-TRIHYDROXY-3-METHYLPHENYL)-1-BUTANONE
Name1-(2,4,6-TRIHYDROXY-3-METHYLPHENYL)-1-BUTANONE
1Identification
【Name】
1-(2,4,6-TRIHYDROXY-3-METHYLPHENYL)-1-BUTANONE
【CAS】
【MDL】
MFCD22054666
【English Synonyms】
【Formula】
C11 H14 O4
【MolWeight】
210.228
【Inchi】
InChI=1S/C11H14O4/c1-3-4-7(12)10-9(14)5-8(13)6(2)11(10)15/h5,13-15H,3-4H2,1-2H3
【InChIKey】
InChIKey=WPBGSQXSWBAQEX-UHFFFAOYSA-N
【SMILES】
CCCC(=O)c1c(cc(c(c1O)C)O)O
【MOL File】
1-(2,4,6-TRIHYDROXY-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,4,6-TRIHYDROXY-3-METHYLPHENYL)-1-BUTANONE.cml