449520
  -OEChem-04242410232D

  5  5  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
    3.0000    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
    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
449520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAEgAABAAAAAAAAAMACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dioxirane

> <PUBCHEM_IUPAC_CAS_NAME>
dioxirane

> <PUBCHEM_IUPAC_NAME_MARKUP>
dioxirane

> <PUBCHEM_IUPAC_NAME>
dioxirane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-dioxirane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dioxirane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH2O2/c1-2-3-1/h1H2

> <PUBCHEM_IUPAC_INCHIKEY>
ASQQEOXYFGEFKQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
46.005479302

> <PUBCHEM_MOLECULAR_FORMULA>
CH2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
46.025

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1OO1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1OO1

> <PUBCHEM_CACTVS_TPSA>
25.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
46.005479302

> <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

$$$$