7838
  -OEChem-11232513052D

 18 18  0     1  0  0  0  0  0999 V2000
    5.0981   -2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5981   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9970   -1.9180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807   -1.5290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7057   -0.7064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  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
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7838

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
80.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAIAAAAABACAACBCAAAAAAAAAAAIAAAAAAABBAAAIQACAAABAAACIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(allyloxymethyl)oxirane

> <PUBCHEM_IUPAC_CAS_NAME>
2-(prop-2-enoxymethyl)oxirane

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(prop-2-enoxymethyl)oxirane

> <PUBCHEM_IUPAC_NAME>
2-(prop-2-enoxymethyl)oxirane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(prop-2-enoxymethyl)oxirane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(allyloxymethyl)oxirane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2

> <PUBCHEM_IUPAC_INCHIKEY>
LSWYGACWGAICNM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.4

> <PUBCHEM_EXACT_MASS>
114.068079557

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10O2

> <PUBCHEM_MOLECULAR_WEIGHT>
114.14

> <PUBCHEM_SMILES>
C=CCOCC1CO1

> <PUBCHEM_CONNECTIVITY_SMILES>
C=CCOCC1CO1

> <PUBCHEM_CACTVS_TPSA>
21.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
114.068079557

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
3  9  3

$$$$
