521293
  -OEChem-05231321592D

  4  3  0     0  0  0  0  0  0999 V2000
    2.0000   -0.6550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
  3  4  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
521293

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
31.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAAEAAAAAAAAAAQAAAAQAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
formonitrile oxide

> <PUBCHEM_IUPAC_CAS_NAME>
formonitrile oxide

> <PUBCHEM_IUPAC_NAME>
formonitrile oxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methanenitrile oxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
fulminic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CHNO/c1-2-3/h1H

> <PUBCHEM_IUPAC_INCHIKEY>
UXKUODQYLDZXDL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.5

> <PUBCHEM_EXACT_MASS>
43.005814

> <PUBCHEM_MOLECULAR_FORMULA>
CHNO

> <PUBCHEM_MOLECULAR_WEIGHT>
43.02474

> <PUBCHEM_OPENEYE_CAN_SMILES>
C#[N+][O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C#[N+][O-]

> <PUBCHEM_CACTVS_TPSA>
30.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
43.005814

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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

$$$$