3083848
  -OEChem-09292123572D

 20 22  0     0  0  0  0  0  0999 V2000
    2.5836    0.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719    0.2222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -1.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -1.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393    1.5607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910   -2.1787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2754    2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  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 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  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>
3083848

> <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>
AAADcYBwMAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAAAAAADASgmAIwDsAABECIAqjSiAACCAAkIAAIiAEGCMgMJzaENRqCO2Cl4BUIqYeI7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
furo[2,3-f]chromen-7-one

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
furo[2,3-f]chromen-7-one

> <PUBCHEM_IUPAC_NAME>
furo[2,3-f]chromen-7-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
furo[2,3-f]chromen-7-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
furo[2,3-f]chromen-7-one

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

> <PUBCHEM_IUPAC_INCHIKEY>
HMUJHZNYHJMOHR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
186.031694049

> <PUBCHEM_MOLECULAR_FORMULA>
C11H6O3

> <PUBCHEM_MOLECULAR_WEIGHT>
186.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=CC(=O)O2)C3=C1C=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=CC(=O)O2)C3=C1C=CO3

> <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  5  8
10  13  8
11  12  8
13  14  8
2  14  8
2  7  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

$$$$
