62443
  -OEChem-04262423342D

 30 32  0     1  0  0  0  0  0999 V2000
    2.0000   -4.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2320    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000   -4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9011   -3.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    3.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077   -4.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826   -4.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    4.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    4.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4441    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62443

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
201

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAEiQAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAACBSgkAIwBoAABACAACBCAAACCAAgIAAIiAAGCIgNJiKEMRqCOCClwBEKqAfAQAAAAQAAAAAAAAACAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[4-(2-oxiranylmethoxy)phenoxy]methyl]oxirane

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

> <PUBCHEM_IUPAC_NAME>
2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(4-glycidoxyphenoxy)methyl]oxirane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1-4,11-12H,5-8H2

> <PUBCHEM_IUPAC_INCHIKEY>
FSYPIGPPWAJCJG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
222.08920892

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14O4

> <PUBCHEM_MOLECULAR_WEIGHT>
222.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(O1)COC2=CC=C(C=C2)OCC3CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(O1)COC2=CC=C(C=C2)OCC3CO3

> <PUBCHEM_CACTVS_TPSA>
43.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.08920892

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
11  13  8
11  15  8
12  14  8
12  16  8
13  14  8
15  16  8
5  9  3
6  10  3

$$$$