24787167
  -OEChem-04232417072D

 25 26  0     0  0  0  0  0  0999 V2000
    6.0682   -1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6882    1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4482    1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2033    0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 25  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24787167

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
330

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAGgAACAAADASAmAAyDoAABgCIAiDSCAACCAAgIAAIiAEGCMgMJyKGMRqCeiClwBUIuQeA4KwOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-hydroxy-4-methyl-3-vinyl-chromen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-ethenyl-7-hydroxy-4-methyl-1-benzopyran-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-ethenyl-7-hydroxy-4-methylchromen-2-one

> <PUBCHEM_IUPAC_NAME>
3-ethenyl-7-hydroxy-4-methylchromen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-ethenyl-4-methyl-7-oxidanyl-chromen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-hydroxy-4-methyl-3-vinyl-coumarin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10O3/c1-3-9-7(2)10-5-4-8(13)6-11(10)15-12(9)14/h3-6,13H,1H2,2H3

> <PUBCHEM_IUPAC_INCHIKEY>
MXXUBSOBLJFGHE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
202.062994177

> <PUBCHEM_MOLECULAR_FORMULA>
C12H10O3

> <PUBCHEM_MOLECULAR_WEIGHT>
202.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=O)OC2=C1C=CC(=C2)O)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=O)OC2=C1C=CC(=C2)O)C=C

> <PUBCHEM_CACTVS_TPSA>
46.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.062994177

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
1  11  8
1  6  8
10  13  8
12  13  8
4  5  8
4  6  8
4  8  8
5  7  8
6  10  8
7  11  8
8  12  8

$$$$