70452139
  -OEChem-05112403182D

 26 27  0     0  0  0  0  0  0999 V2000
    6.0682   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4668    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6697    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4018   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1988   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  2  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70452139

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
245

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAGgAACAAADASAmAAwBoAABgCAAiBCAAACCAAgIAAIiAAGCIgMJyKGMRqCeCClwBUIuAeA4KwOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-allyl-4H-chromen-7-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-prop-2-enyl-4H-1-benzopyran-7-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-prop-2-enyl-4<I>H</I>-chromen-7-ol

> <PUBCHEM_IUPAC_NAME>
2-prop-2-enyl-4H-chromen-7-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-prop-2-enyl-4H-chromen-7-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-allyl-4H-chromen-7-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H12O2/c1-2-3-11-7-5-9-4-6-10(13)8-12(9)14-11/h2,4,6-8,13H,1,3,5H2

> <PUBCHEM_IUPAC_INCHIKEY>
GGNMNPRCOMWNEB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
188.083729621

> <PUBCHEM_MOLECULAR_FORMULA>
C12H12O2

> <PUBCHEM_MOLECULAR_WEIGHT>
188.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCC1=CCC2=C(O1)C=C(C=C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCC1=CCC2=C(O1)C=C(C=C2)O

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
188.083729621

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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  12  8
11  12  8
3  5  8
3  8  8
5  10  8
8  11  8

$$$$