69193819
  -OEChem-05102405192D

 39 39  0     0  0  0  0  0  0999 V2000
    4.5981   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -4.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -4.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -5.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -4.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    3.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  4 13  2  0  0  0  0
  5 18  1  0  0  0  0
  5 39  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69193819

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
256

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGiMgNNjKENRqCOSKkwBELqYeKzLDOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[3-[2-(2-hydroxyethoxy)ethoxy]-4-methoxy-phenyl]propan-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[3-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]-1-propanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[3-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]propan-1-one

> <PUBCHEM_IUPAC_NAME>
1-[3-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]propan-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[3-[2-(2-hydroxyethyloxy)ethoxy]-4-methoxy-phenyl]propan-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[3-[2-(2-hydroxyethoxy)ethoxy]-4-methoxy-phenyl]propan-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H20O5/c1-3-12(16)11-4-5-13(17-2)14(10-11)19-9-8-18-7-6-15/h4-5,10,15H,3,6-9H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
BGRLYHJCDMRBIS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
268.13107373

> <PUBCHEM_MOLECULAR_FORMULA>
C14H20O5

> <PUBCHEM_MOLECULAR_WEIGHT>
268.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)C1=CC(=C(C=C1)OC)OCCOCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)C1=CC(=C(C=C1)OC)OCCOCCO

> <PUBCHEM_CACTVS_TPSA>
65

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.13107373

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
12  14  8
6  12  8
6  8  8
7  10  8
7  8  8

$$$$