32573-57-2
BIS(3-ACETYL-6-METHYL-2H-PYRAN-2,4(3H)-DIONATO) ZINC DIHYDRATE
NameBIS(3-ACETYL-6-METHYL-2H-PYRAN-2,4(3H)-DIONATO) ZINC DIHYDRATE
FormulaC16 H14 O8 Zn . 2 H2 O
1Identification
【Name】
BIS(3-ACETYL-6-METHYL-2H-PYRAN-2,4(3H)-DIONATO) ZINC DIHYDRATE
【CAS】
【MDL】
MFCD04038085
【English Synonyms】
【Formula】
C16 H14 O8 Zn . 2 H2 O
【MolWeight】
435.698
【Inchi】
InChI=1S/2C8H8O4.2H2O.Zn/c2*1-4-3-6(10)7(5(2)9)8(11)12-4;;;/h2*3,7,10H,1H2,2H3;2*1H2;/q;;;;+2/p-2
【InChIKey】
InChIKey=BGTYJVKWNKGRLE-UHFFFAOYSA-L
【SMILES】
CC(=O)C1C(=CC(=C)OC1=O)O[Zn]OC2=CC(=C)OC(=O)C2C(=O)C.O.O
【MOL File】
BIS(3-ACETYL-6-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BIS(3-ACETYL-6-METHYL-2H-PYRAN-2,4(3H)-DIONATO) ZINC DIHYDRATE.cml