6354
  -OEChem-11232513102D

  7  7  0     0  0  0  0  0  0999 V2000
    2.5000   -0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077    1.0436    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
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6354

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAIAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAAAACggAIAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oxirane

> <PUBCHEM_IUPAC_CAS_NAME>
oxirane

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxirane

> <PUBCHEM_IUPAC_NAME>
oxirane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxirane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethylene oxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4O/c1-2-3-1/h1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
IAYPIBMASNFSPL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.1

> <PUBCHEM_EXACT_MASS>
44.026214747

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4O

> <PUBCHEM_MOLECULAR_WEIGHT>
44.05

> <PUBCHEM_SMILES>
C1CO1

> <PUBCHEM_CONNECTIVITY_SMILES>
C1CO1

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
44.026214747

> <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

$$$$
