332
  DSViewer          3D                             0

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.8193    2.5387    0.0001 O   0  0  0  0  0  0  0  0  0  1
    1.4670    1.1878   -0.0002 O   0  0  0  0  0  0  0  0  0  2
    5.0674   -0.9487    0.0005 C   0  0  0  0  0  0  0  0  0  3
    3.8214    1.1361    0.0002 C   0  0  0  0  0  0  0  0  0  4
    5.0848    0.3829    0.0004 C   0  0  0  0  0  0  0  0  0  5
    2.6624    0.4805   -0.0000 C   0  0  0  0  0  0  0  0  0  6
    3.7892   -1.6646    0.0003 C   0  0  0  0  0  0  0  0  0  7
    2.6448   -0.9839    0.0001 C   0  0  0  0  0  0  0  0  0  8
    6.3253   -1.6944    0.0007 C   0  0  0  0  0  0  0  0  0  9
    5.1565    3.0566    0.0003 C   0  0  0  0  0  0  0  0  0 10
    6.3121   -3.0256    0.0008 C   0  0  0  0  0  0  0  0  0 11
    6.0360    0.9151    0.0005 H   0  0  0  0  0  0  0  0  0 12
    3.7751   -2.7545    0.0003 H   0  0  0  0  0  0  0  0  0 13
    1.6941   -1.5171   -0.0001 H   0  0  0  0  0  0  0  0  0 14
    7.2751   -1.1595    0.0009 H   0  0  0  0  0  0  0  0  0 15
    5.1247    4.1461    0.0002 H   0  0  0  0  0  0  0  0  0 16
    5.6815    2.7089   -0.8895 H   0  0  0  0  0  0  0  0  0 17
    5.6812    2.7090    0.8903 H   0  0  0  0  0  0  0  0  0 18
    0.7092    0.5521   -0.0003 H   0  0  0  0  0  0  0  0  0 19
    5.3628   -3.5612    0.0007 H   0  0  0  0  0  0  0  0  0 20
    7.2506   -3.5800    0.0010 H   0  0  0  0  0  0  0  0  0 21
  1  4  1  0  0  0
  1 10  1  0  0  0
  2  6  1  0  0  0
  2 19  1  0  0  0
  3  5  2  0  0  0
  3  7  1  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  6  2  0  0  0
  5 12  1  0  0  0
  6  8  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  8 14  1  0  0  0
  9 11  2  0  0  0
  9 15  1  0  0  0
 10 16  1  0  0  0
 10 17  1  0  0  0
 10 18  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
332

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
134

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNJiKGMRqAcCMkwBELuAeAwBAOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methoxy-4-vinyl-phenol

> <PUBCHEM_IUPAC_CAS_NAME>
4-ethenyl-2-methoxyphenol

> <PUBCHEM_IUPAC_NAME>
4-ethenyl-2-methoxyphenol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-ethenyl-2-methoxy-phenol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methoxy-4-vinyl-phenol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3

> <PUBCHEM_IUPAC_INCHIKEY>
YOMSJEATGXXYPX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.4

> <PUBCHEM_EXACT_MASS>
150.068

> <PUBCHEM_MOLECULAR_FORMULA>
C9H10O2

> <PUBCHEM_MOLECULAR_WEIGHT>
150.174

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=CC(=C1)C=C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=CC(=C1)C=C)O

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
150.068

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$
