10198122
  -OEChem-04292400392D

 21 23  0     0  0  0  0  0  0999 V2000
    2.5836   -1.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    1.0669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.9746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2740    2.5946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -1.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719    0.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    1.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -2.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    0.4194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052   -0.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.9746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7180    1.3818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10198122

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
312

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwOAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAACAAADASgmAIwDsAABkCIAqjSiAACCAAkIAAIiAEGCMgMJzaGNBqCe2Cl4BUIuYfK7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-hydroxyfuro[2,3-h]chromen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-hydroxy-2-furo[2,3-h][1]benzopyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-hydroxyfuro[2,3-h]chromen-2-one

> <PUBCHEM_IUPAC_NAME>
5-hydroxyfuro[2,3-h]chromen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-oxidanylfuro[2,3-h]chromen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-hydroxyfuro[2,3-h]chromen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H6O4/c12-8-5-9-7(3-4-14-9)11-6(8)1-2-10(13)15-11/h1-5,12H

> <PUBCHEM_IUPAC_INCHIKEY>
OOWBIFOFDYBTAE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.7

> <PUBCHEM_EXACT_MASS>
202.02660867

> <PUBCHEM_MOLECULAR_FORMULA>
C11H6O4

> <PUBCHEM_MOLECULAR_WEIGHT>
202.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=O)OC2=C1C(=CC3=C2C=CO3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=O)OC2=C1C(=CC3=C2C=CO3)O

> <PUBCHEM_CACTVS_TPSA>
59.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.02660867

> <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>
5

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  13  8
1  8  8
11  13  8
12  14  8
14  15  8
2  15  8
2  6  8
5  11  8
5  6  8
5  8  8
6  7  8
7  12  8
7  9  8
8  10  8
9  10  8

$$$$
