86079
  -OEChem-04232413062D

 16 16  0     1  0  0  0  0  0999 V2000
    2.8090   -0.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770   -1.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.2638    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3090    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    1.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150   -0.3485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    1.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.5160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -1.2149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
86079

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
99.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAABgAIAACQCAIAAAAAAAAAAAFAAAABABIAAAQCQAAEAAADAACIJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrahydrofuran-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-oxolanecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxolane-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
oxolane-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxolane-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetrahydrofuran-2-carboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
UJJLJRQIPMGXEZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.2

> <PUBCHEM_EXACT_MASS>
116.047344113

> <PUBCHEM_MOLECULAR_FORMULA>
C5H8O3

> <PUBCHEM_MOLECULAR_WEIGHT>
116.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(OC1)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(OC1)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
46.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
116.047344113

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
5  8  3

$$$$