59118065
  -OEChem-04262407302D

 13 12  0     0  0  0  0  0  0999 V2000
    2.5369    1.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
59118065

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
135

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAAACAAAAgCIACDSCAAAAAAAAAAICAAAAEAABAAAAAAAEAAAAAAAEYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(Z)-3-carboxyprop-2-enoyl]oxonium

> <PUBCHEM_IUPAC_CAS_NAME>
[(Z)-3-carboxy-1-oxoprop-2-enyl]oxonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(<I>Z</I>)-3-carboxyprop-2-enoyl]oxidanium

> <PUBCHEM_IUPAC_NAME>
[(Z)-3-carboxyprop-2-enoyl]oxidanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxidanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(Z)-3-carboxyacryloyl]oxonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p+1/b2-1-

> <PUBCHEM_IUPAC_INCHIKEY>
VZCYOOQTPOCHFL-UPHRSURJSA-O

> <PUBCHEM_XLOGP3>
-0.3

> <PUBCHEM_EXACT_MASS>
117.01878364

> <PUBCHEM_MOLECULAR_FORMULA>
C4H5O4+

> <PUBCHEM_MOLECULAR_WEIGHT>
117.08

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=CC(=O)O)C(=O)[OH2+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=C\C(=O)O)\C(=O)[OH2+]

> <PUBCHEM_CACTVS_TPSA>
55.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
117.01878364

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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

$$$$