7362
  DSViewer          3D                             0

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.6982   -0.8425   -0.0002 O   0  0  0  0  0  0  0  0  0  1
    5.3984   -1.7500   -0.0006 O   0  0  0  0  0  0  0  0  0  2
    3.7968   -0.0471    0.0002 C   0  0  0  0  0  0  0  0  0  3
    3.4496    1.2324    0.0008 C   0  0  0  0  0  0  0  0  0  4
    1.9955    1.2417    0.0008 C   0  0  0  0  0  0  0  0  0  5
    1.5910   -0.0306    0.0002 C   0  0  0  0  0  0  0  0  0  6
    5.1744   -0.5344   -0.0001 C   0  0  0  0  0  0  0  0  0  7
    4.1145    2.0961    0.0012 H   0  0  0  0  0  0  0  0  0  8
    1.3549    2.1235    0.0012 H   0  0  0  0  0  0  0  0  0  9
    0.5547   -0.3684    0.0000 H   0  0  0  0  0  0  0  0  0 10
    6.0035    0.1732    0.0003 H   0  0  0  0  0  0  0  0  0 11
  1  3  1  0  0  0
  1  6  1  0  0  0
  2  7  2  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  7 11  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7362

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
70.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgAAAAAACASgkAIwBIAABECIAKhSgAICCAAkIAAIiAFGCMgMJjKENR6CGSCkwBEIqYaIBgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
furan-2-carbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
2-furancarboxaldehyde

> <PUBCHEM_IUPAC_NAME>
furan-2-carbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
furan-2-carbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
furfural

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H

> <PUBCHEM_IUPAC_INCHIKEY>
HYBBIBNJHNGZAN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.4

> <PUBCHEM_EXACT_MASS>
96.0211

> <PUBCHEM_MOLECULAR_FORMULA>
C5H4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
96.0841

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC(=C1)C=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=COC(=C1)C=O

> <PUBCHEM_CACTVS_TPSA>
30.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
96.0211

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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  3  8
1  6  8
3  4  8
4  5  8
5  6  8

$$$$