139247
  -OEChem-05082423512D

  2  1  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
139247

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
acetylene

> <PUBCHEM_IUPAC_CAS_NAME>
ethyne

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyne

> <PUBCHEM_IUPAC_NAME>
ethyne

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyne

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetylene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2/c1-2

> <PUBCHEM_IUPAC_INCHIKEY>
LBVWYGNGGJURHQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.4

> <PUBCHEM_EXACT_MASS>
24

> <PUBCHEM_MOLECULAR_FORMULA>
C2

> <PUBCHEM_MOLECULAR_WEIGHT>
24.02

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
24

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
2

> <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

$$$$