1549045
  DSViewer          3D                             0

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.0653   -1.8683    0.0002 O   0  0  0  0  0  0  0  0  0  1
    4.3345   -3.3385   -0.0001 O   0  0  0  0  0  0  0  0  0  2
    4.5625    0.8805   -0.0003 C   0  0  0  0  0  0  0  0  0  3
    3.3065   -1.2146   -0.0001 C   0  0  0  0  0  0  0  0  0  4
    4.4224   -1.9386   -0.0002 C   0  0  0  0  0  0  0  0  0  5
    3.3845    0.2557   -0.0002 C   0  0  0  0  0  0  0  0  0  6
    5.7929    0.0631   -0.0005 C   0  0  0  0  0  0  0  0  0  7
    5.7254   -1.2663   -0.0004 C   0  0  0  0  0  0  0  0  0  8
    4.5450    2.3948   -0.0004 C   0  0  0  0  0  0  0  0  0  9
    5.5690    3.2727    0.0008 C   0  0  0  0  0  0  0  0  0 10
    0.9848   -0.9257    0.0003 C   0  0  0  0  0  0  0  0  0 11
    7.0480    2.9530    0.0029 C   0  0  0  0  0  0  0  0  0 12
    5.6374   -3.9377   -0.0002 C   0  0  0  0  0  0  0  0  0 13
    2.4657    0.8421   -0.0002 H   0  0  0  0  0  0  0  0  0 14
    6.7663    0.5536   -0.0006 H   0  0  0  0  0  0  0  0  0 15
    6.6415   -1.8569   -0.0006 H   0  0  0  0  0  0  0  0  0 16
    3.5521    2.8445   -0.0016 H   0  0  0  0  0  0  0  0  0 17
    5.3015    4.3293    0.0002 H   0  0  0  0  0  0  0  0  0 18
    0.0352   -1.4608    0.0005 H   0  0  0  0  0  0  0  0  0 19
    1.0482   -0.2995   -0.8896 H   0  0  0  0  0  0  0  0  0 20
    1.0485   -0.2994    0.8901 H   0  0  0  0  0  0  0  0  0 21
    7.6207    3.8804    0.0035 H   0  0  0  0  0  0  0  0  0 22
    7.2964    2.3738   -0.8865 H   0  0  0  0  0  0  0  0  0 23
    7.2939    2.3743    0.8933 H   0  0  0  0  0  0  0  0  0 24
    5.5387   -5.0232   -0.0000 H   0  0  0  0  0  0  0  0  0 25
    6.1827   -3.6229    0.8896 H   0  0  0  0  0  0  0  0  0 26
    6.1825   -3.6231   -0.8901 H   0  0  0  0  0  0  0  0  0 27
  1  4  1  0  0  0
  1 11  1  0  0  0
  2  5  1  0  0  0
  2 13  1  0  0  0
  3  6  2  0  0  0
  3  7  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  5  8  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  7 15  1  0  0  0
  8 16  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 12  1  0  0  0
 10 18  1  0  0  0
 11 19  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
 13 25  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1549045

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
166

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASAmAIyBoAABACAAiBCAAACCAAgIAAIiAAGiIgNJiKEMRqAMCIkwBEKqAeAwBAOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene

> <PUBCHEM_IUPAC_CAS_NAME>
1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene

> <PUBCHEM_IUPAC_NAME>
1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4-

> <PUBCHEM_IUPAC_INCHIKEY>
NNWHUJCUHAELCL-PLNGDYQASA-N

> <PUBCHEM_XLOGP3>
2.5

> <PUBCHEM_EXACT_MASS>
178.099

> <PUBCHEM_MOLECULAR_FORMULA>
C11H14O2

> <PUBCHEM_MOLECULAR_WEIGHT>
178.228

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC=CC1=CC(=C(C=C1)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C=C\C1=CC(=C(C=C1)OC)OC

> <PUBCHEM_CACTVS_TPSA>
18.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
178.099

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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  6  8
3  7  8
4  5  8
4  6  8
5  8  8
7  8  8

$$$$
