151080
  -OEChem-05042417082D

 10 10  0     0  0  0  0  0  0999 V2000
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
151080

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
51.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAAAAAACAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methylcyclopropene

> <PUBCHEM_IUPAC_CAS_NAME>
1-methylcyclopropene

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-methylcyclopropene

> <PUBCHEM_IUPAC_NAME>
1-methylcyclopropene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methylcyclopropene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methylcyclopropene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
SHDPRTQPPWIEJG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
54.0469501914

> <PUBCHEM_MOLECULAR_FORMULA>
C4H6

> <PUBCHEM_MOLECULAR_WEIGHT>
54.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
54.0469501914

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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

$$$$