36744
  -OEChem-11232503372D

 14 14  0     0  0  0  0  0  0999 V2000
    2.8090   -1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    0.9815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    0.4938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077   -0.7777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3984    0.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2612    1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3952    1.5384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
36744

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
74

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgIAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADACggAICAAAABACAAgBCAAAACAAgIAAAAAAAAAgAAAAAAQAAAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methyl-2,3-dihydrofuran

> <PUBCHEM_IUPAC_CAS_NAME>
4-methyl-2,3-dihydrofuran

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-methyl-2,3-dihydrofuran

> <PUBCHEM_IUPAC_NAME>
4-methyl-2,3-dihydrofuran

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methyl-2,3-dihydrofuran

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-methyl-2,3-dihydrofuran

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FWGYRFWKBWPRJD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
84.057514874

> <PUBCHEM_MOLECULAR_FORMULA>
C5H8O

> <PUBCHEM_MOLECULAR_WEIGHT>
84.12

> <PUBCHEM_SMILES>
CC1=COCC1

> <PUBCHEM_CONNECTIVITY_SMILES>
CC1=COCC1

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
84.057514874

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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

$$$$
