166084466
  -OEChem-04242409492D

 16 15  0     0  0  0  0  0  0999 V2000
    4.2690   -0.4795    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -1.3455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    1.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.9544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.9544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -0.5164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.3305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    0.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590    1.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  3  0  0  0  0
  7  9  3  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
166084466

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
204

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGggAACAAAACggAICAAAAATBASAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-diethynylphosphoryloxyethane

> <PUBCHEM_IUPAC_CAS_NAME>
1-diethynylphosphoryloxyethane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-diethynylphosphoryloxyethane

> <PUBCHEM_IUPAC_NAME>
1-diethynylphosphoryloxyethane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-diethynylphosphoryloxyethane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-diethynylphosphoryloxyethane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H7O2P/c1-4-8-9(7,5-2)6-3/h2-3H,4H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZUTIVNFOYAYLRE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
142.01836646

> <PUBCHEM_MOLECULAR_FORMULA>
C6H7O2P

> <PUBCHEM_MOLECULAR_WEIGHT>
142.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=O)(C#C)C#C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=O)(C#C)C#C

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
142.01836646

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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

$$$$
