3314
  DSViewer          3D                             0

 24 24  0  0  0  0  0  0  0  0999 V2000
    3.6003    2.9707    0.0002 O   0  0  0  0  0  0  0  0  0  1
    1.2953    1.5407   -0.0004 O   0  0  0  0  0  0  0  0  0  2
    4.9673   -0.4720    0.0003 C   0  0  0  0  0  0  0  0  0  3
    6.2871   -1.1906    0.0006 C   0  0  0  0  0  0  0  0  0  4
    4.9385    0.8593    0.0004 C   0  0  0  0  0  0  0  0  0  5
    3.6501    1.5690    0.0001 C   0  0  0  0  0  0  0  0  0  6
    3.7132   -1.2311    0.0000 C   0  0  0  0  0  0  0  0  0  7
    2.5140    0.8744   -0.0002 C   0  0  0  0  0  0  0  0  0  8
    2.5463   -0.5897   -0.0002 C   0  0  0  0  0  0  0  0  0  9
    6.0604   -2.6750    0.0004 C   0  0  0  0  0  0  0  0  0 10
    4.9191    3.5337    0.0005 C   0  0  0  0  0  0  0  0  0 11
    7.1000   -3.5064    0.0006 C   0  0  0  0  0  0  0  0  0 12
    6.8509   -0.9110   -0.8894 H   0  0  0  0  0  0  0  0  0 13
    6.8505   -0.9111    0.8909 H   0  0  0  0  0  0  0  0  0 14
    5.8708    1.4239    0.0006 H   0  0  0  0  0  0  0  0  0 15
    3.7359   -2.3208   -0.0000 H   0  0  0  0  0  0  0  0  0 16
    1.6143   -1.1549   -0.0005 H   0  0  0  0  0  0  0  0  0 17
    5.0451   -3.0716    0.0002 H   0  0  0  0  0  0  0  0  0 18
    4.8503    4.6215    0.0006 H   0  0  0  0  0  0  0  0  0 19
    5.4557    3.2042   -0.8892 H   0  0  0  0  0  0  0  0  0 20
    5.4553    3.2041    0.8905 H   0  0  0  0  0  0  0  0  0 21
    0.5595    0.8796   -0.0006 H   0  0  0  0  0  0  0  0  0 22
    8.1152   -3.1097    0.0008 H   0  0  0  0  0  0  0  0  0 23
    6.9360   -4.5840    0.0005 H   0  0  0  0  0  0  0  0  0 24
  1  6  1  0  0  0
  1 11  1  0  0  0
  2  8  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3  5  2  0  0  0
  3  7  1  0  0  0
  4 10  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  5 15  1  0  0  0
  6  8  2  0  0  0
  7  9  2  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  9 17  1  0  0  0
 10 12  2  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 23  1  0  0  0
 12 24  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3314

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
145

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAIyBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNJiKGMRqAcCMkwBELuAeAwLAOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
2-methoxy-4-prop-2-enylphenol

> <PUBCHEM_IUPAC_NAME>
2-methoxy-4-prop-2-enylphenol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methoxy-4-prop-2-enyl-phenol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
eugenol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3

> <PUBCHEM_IUPAC_INCHIKEY>
RRAFCDWBNXTKKO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2

> <PUBCHEM_EXACT_MASS>
164.084

> <PUBCHEM_MOLECULAR_FORMULA>
C10H12O2

> <PUBCHEM_MOLECULAR_WEIGHT>
164.201

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

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

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
164.084

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  5  8
3  7  8
5  6  8
6  8  8
7  9  8
8  9  8

$$$$
