10658
  -OEChem-04252423192D

 20 22  0     0  0  0  0  0  0999 V2000
    2.5836   -2.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    0.7569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2740    2.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719   -0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    0.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -2.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    0.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052   -0.5940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7180    1.0718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10658

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
284

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwMAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAAAAAADASgmAIwDsAABECIAqjSiAACCAAkIAAIiAEGCMgMJzaENRqCO2Cl4BUIqYfK7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H

> <PUBCHEM_IUPAC_INCHIKEY>
XDROKJSWHURZGO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2

> <PUBCHEM_EXACT_MASS>
186.031694049

> <PUBCHEM_MOLECULAR_FORMULA>
C11H6O3

> <PUBCHEM_MOLECULAR_WEIGHT>
186.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3

> <PUBCHEM_CACTVS_TPSA>
39.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
186.031694049

> <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>
1  12  8
1  7  8
10  12  8
11  13  8
13  14  8
2  14  8
2  5  8
4  10  8
4  5  8
4  7  8
5  6  8
6  11  8
6  8  8
7  9  8
8  9  8

$$$$