16682934
  -OEChem-11242522082D

 12 11  0     0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16682934

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
52.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAMAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAAAACAgAACCAAAAAAIAACQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
acetoxy(methyl)mercury

> <PUBCHEM_IUPAC_CAS_NAME>
acetyloxy(methyl)mercury

> <PUBCHEM_IUPAC_NAME_MARKUP>
acetyloxy(methyl)mercury

> <PUBCHEM_IUPAC_NAME>
acetyloxy(methyl)mercury

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
acetyloxy(methyl)mercury

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetoxy(methyl)mercury

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4O2.CH3.Hg/c1-2(3)4;;/h1H3,(H,3,4);1H3;/q;;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
STSGKERZHAYXMQ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
276.007423

> <PUBCHEM_MOLECULAR_FORMULA>
C3H6HgO2

> <PUBCHEM_MOLECULAR_WEIGHT>
274.67

> <PUBCHEM_SMILES>
CC(=O)O[Hg]C

> <PUBCHEM_CONNECTIVITY_SMILES>
CC(=O)O[Hg]C

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
276.007423

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
