25200910
  -OEChem-05211315302D

 14 14  0     1  0  0  0  0  0999 V2000
    4.8660   -1.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    0.6830    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3660    1.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.1830    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5000    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5265   -0.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120    0.8996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894    0.4246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  CHG  1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
25200910

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
187

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgMAAAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQSAgAAACAAAAACIAoDSCAIAAAAgAAAAAAFAAAgAABIAAQAAAAAEgAAAAACIAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-methylenecyclopropyl)-2-oxo-acetate

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-methylenecyclopropyl)-2-oxoacetate

> <PUBCHEM_IUPAC_NAME>
2-(2-methylidenecyclopropyl)-2-oxoacetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-methylidenecyclopropyl)-2-oxidanylidene-ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-keto-2-(2-methylenecyclopropyl)acetate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H6O3/c1-3-2-4(3)5(7)6(8)9/h4H,1-2H2,(H,8,9)/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
IZYQYTLECIJWMX-UHFFFAOYSA-M

> <PUBCHEM_XLOGP3_AA>
0.8

> <PUBCHEM_EXACT_MASS>
125.023869

> <PUBCHEM_MOLECULAR_FORMULA>
C6H5O3-

> <PUBCHEM_MOLECULAR_WEIGHT>
125.1021

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=C1CC1C(=O)C(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=C1CC1C(=O)C(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
57.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
125.023869

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
9

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
4  7  3

$$$$