162151-83-9
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-[1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL]-
Name2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-[1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL]-
1Identification
【Name】
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-[1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL]-
【CAS】
【MDL】
MFCD00833523
【English Synonyms】
【Formula】
C19 H18 O6
【MolWeight】
342.345
【Inchi】
InChI=1S/C19H18O6/c1-23-16-10-12(11-17(24-2)19(16)25-3)8-9-14(20)13-6-4-5-7-15(21)18(13)22/h4-11H,1-3H3,(H,21,22)/b9-8+
【InChIKey】
InChIKey=GUBVKMUQFGILIP-CMDGGOBGSA-N
【SMILES】
COc1cc(cc(c1OC)OC)/C=C/C(=O)c2ccccc(=O)c2O
【MOL File】
2,4,6-CYCLOHEPTATRIE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-[1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL]-.cml