584-18-9
ACETOMEROCTOL
Name
ACETOMEROCTOL
Formula
C16 H24 Hg O3
MolWeight
464.953
1Identification
【Name】
ACETOMEROCTOL
【CAS】
【MDL】
MFCD00866762
【English Synonyms】
【Formula】
C16 H24 Hg O3
【MolWeight】
464.953
【Inchi】
InChI=1S/C14H21O.C2H4O2.Hg/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2(3)4;/h6-8,15H,10H2,1-5H3;1H3,(H,3,4);/q;;+1/p-1
【InChIKey】
InChIKey=YEWQCWVEXRSMSB-UHFFFAOYSA-M
【SMILES】
CC(=O)O[Hg]c1cc(ccc1O)C(C)(C)CC(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETOMEROCTOL.cml
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