11100
  -OEChem-04182408402D

 22 23  0     1  0  0  0  0  0999 V2000
    4.2120   -1.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780    1.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939   -1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600    1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -2.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -2.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    2.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    2.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043   -1.6462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703    1.6462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385   -3.2904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2674   -3.2904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    3.2904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1334    3.2904    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  5  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  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  2  0  0  0  0
 13 20  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11100

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
216

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAGgAACAAACBSgkAIwBIAABkCIAKhSgAICCAAkIAAIiAFGCMgNNjaMNR6CWSCl4BELuYfL7qTgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2-bis(2-furyl)-2-hydroxy-ethanone

> <PUBCHEM_IUPAC_CAS_NAME>
1,2-bis(2-furanyl)-2-hydroxyethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2-bis(furan-2-yl)-2-hydroxyethanone

> <PUBCHEM_IUPAC_NAME>
1,2-bis(furan-2-yl)-2-hydroxyethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-bis(furan-2-yl)-2-oxidanyl-ethanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2-bis(2-furyl)-2-hydroxy-ethanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H

> <PUBCHEM_IUPAC_INCHIKEY>
MIJRFWVFNKQQDK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.5

> <PUBCHEM_EXACT_MASS>
192.04225873

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8O4

> <PUBCHEM_MOLECULAR_WEIGHT>
192.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC(=C1)C(C(=O)C2=CC=CO2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=COC(=C1)C(C(=O)C2=CC=CO2)O

> <PUBCHEM_CACTVS_TPSA>
63.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
192.04225873

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  13  8
11  12  8
13  14  8
5  2  3
3  14  8
3  8  8
6  9  8
8  10  8
9  11  8

$$$$