128913
  -OEChem-05072416012D

 20 22  0     0  0  0  0  0  0999 V2000
    6.4783   -1.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    1.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783    0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6709    0.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  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  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
128913

> <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>
AAADcYBwMAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAAAAAADASgmAIwBsAABECIAqhSgAACCAAkIAAIiAEGCMgMJzaENRqCOWCl4BUIqYeI7vzuIAACCAAIAABAAAQQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
furo[3,2-g]chromen-5-one

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
furo[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_NAME>
furo[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
furo[3,2-g]chromen-5-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
furo[3,2-g]chromen-5-one

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

> <PUBCHEM_IUPAC_INCHIKEY>
QBCCGEPNFFWJOU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
186.031694049

> <PUBCHEM_MOLECULAR_FORMULA>
C11H6O3

> <PUBCHEM_MOLECULAR_WEIGHT>
186.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC2=CC3=C(C=C21)C(=O)C=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=COC2=CC3=C(C=C21)C(=O)C=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  6  8
10  12  8
11  13  8
13  14  8
2  14  8
2  7  8
4  10  8
4  6  8
4  8  8
5  11  8
5  7  8
5  8  8
6  9  8
7  9  8

$$$$