24751
  -OEChem-05072413302D

 17 17  0     1  0  0  0  0  0999 V2000
    1.9030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4928    3.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.8660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4030    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9646    0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9856    0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    0.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851    5.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4102    4.5569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5754    4.5569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1004    5.3796    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  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 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 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24751

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
36.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAAAAAAAAAAAAAAEiQAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methyloxirane;oxirane

> <PUBCHEM_IUPAC_CAS_NAME>
2-methyloxirane;oxirane

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-methyloxirane;oxirane

> <PUBCHEM_IUPAC_NAME>
2-methyloxirane;oxirane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methyloxirane;oxirane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethylene oxide;propylene oxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H6O.C2H4O/c1-3-2-4-3;1-2-3-1/h3H,2H2,1H3;1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
RVGRUAULSDPKGF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
102.068079557

> <PUBCHEM_MOLECULAR_FORMULA>
C5H10O2

> <PUBCHEM_MOLECULAR_WEIGHT>
102.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CO1.C1CO1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CO1.C1CO1

> <PUBCHEM_CACTVS_TPSA>
25.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
102.068079557

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  5  3

$$$$