656936
 Wcorina  10100417263D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 27 29  0     0  0  0  0  0  0999 V2000
   -0.0162    1.3432    0.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3318    2.4834   -0.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5421   -3.2890    0.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1259    0.7514   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382    1.8414    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824   -0.4463   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1955   -0.8698    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046    0.9692   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465    3.1339    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9901    2.2625   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4705   -0.3008    0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -2.2589   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1091    3.3402   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5850   -1.1119    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1748   -3.0629    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4411   -2.4931    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6142   -1.4740   -0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872    0.1323   -0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732    3.9783    0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5832    0.7732    0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.7028   -0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973    4.3480   -0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5715   -0.6726    0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0671   -4.1374   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7119    2.5516   -0.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8693   -3.5147   -0.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  1  0  0  0  0
  3 27  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  1  0  0  0  0
 13 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
656936

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
260

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEgB9AAAGgAACAAADASAmAAwBsAABkCIAqBSAAACCAAkIAAIiAEGCMgMJjKGNRqCeSCkwBEIuYfK7PzOIQABAAAIAABCAAIAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-hydroxyphenyl)benzofuran-5-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-hydroxyphenyl)-5-benzofuranol

> <PUBCHEM_IUPAC_NAME>
2-(4-hydroxyphenyl)-1-benzofuran-5-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-hydroxyphenyl)-1-benzofuran-5-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-hydroxyphenyl)benzofuran-5-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H

> <PUBCHEM_IUPAC_INCHIKEY>
SNNNDCMXZYWCCI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
226.062994

> <PUBCHEM_MOLECULAR_FORMULA>
C14H10O3

> <PUBCHEM_MOLECULAR_WEIGHT>
226.2274

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)O)O

> <PUBCHEM_CACTVS_TPSA>
53.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
226.062994

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
15

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  5  8
1  6  8
10  14  8
11  14  8
12  15  8
13  16  8
15  17  8
16  17  8
4  6  8
4  7  8
4  9  8
5  7  8
6  10  8
8  12  8
8  13  8
9  11  8

$$$$