74711
  -OEChem-04232422132D

 18 18  0     0  0  0  0  0  0999 V2000
    5.4543   -0.6056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575    0.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9543    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144   -0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056   -0.7085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9853   -0.8742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898    1.4348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3187    1.4348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.1583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3432   -0.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
74711

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
113

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgAAAAAACASgkAIyBIAABECIAKhSgAICCAAkIAAIiAFGCMgNJjKENR6CGSCkwBEKqYeIbgxgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(methoxymethyl)furan-2-carbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
5-(methoxymethyl)-2-furancarboxaldehyde

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(methoxymethyl)furan-2-carbaldehyde

> <PUBCHEM_IUPAC_NAME>
5-(methoxymethyl)furan-2-carbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(methoxymethyl)furan-2-carbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(methoxymethyl)furfural

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H8O3/c1-9-5-7-3-2-6(4-8)10-7/h2-4H,5H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ASHVULSQMDWKFO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0

> <PUBCHEM_EXACT_MASS>
140.047344113

> <PUBCHEM_MOLECULAR_FORMULA>
C7H8O3

> <PUBCHEM_MOLECULAR_WEIGHT>
140.14

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCC1=CC=C(O1)C=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCC1=CC=C(O1)C=O

> <PUBCHEM_CACTVS_TPSA>
39.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
140.047344113

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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  4  8
1  7  8
4  6  8
6  8  8
7  8  8

$$$$