654234
  -OEChem-05142411102D

 28 29  0     0  0  0  0  0  0999 V2000
    3.7320   -1.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -3.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674   -3.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016   -4.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7304   -4.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    4.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    4.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  1  0  0  0  0
  3 18  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
654234

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
307

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAGgAAAAAADASgmAIyDoAABECIAqjSiAICCAAkIAAIiAFGCMgNJjKENR6COyCkwBEKqYeI7izOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-methoxycarbonylphenyl) furan-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
2-furancarboxylic acid (4-methoxycarbonylphenyl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-methoxycarbonylphenyl) furan-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
(4-methoxycarbonylphenyl) furan-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-methoxycarbonylphenyl) furan-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
furan-2-carboxylic acid (4-carbomethoxyphenyl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10O5/c1-16-12(14)9-4-6-10(7-5-9)18-13(15)11-3-2-8-17-11/h2-8H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
RMSISLCXWKNXQM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.4

> <PUBCHEM_EXACT_MASS>
246.05282342

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10O5

> <PUBCHEM_MOLECULAR_WEIGHT>
246.21

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

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

> <PUBCHEM_CACTVS_TPSA>
65.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
246.05282342

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
12  15  8
15  16  8
16  17  8
2  12  8
2  17  8
6  8  8
6  9  8
7  10  8
7  11  8
8  10  8
9  11  8

$$$$