329983
  DSViewer          3D                             0

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.3250   -1.6299   -0.1508 O   0  0  0  0  0  0  0  0  0  1
    2.5119   -1.4759    0.1729 C   0  0  3  0  0  0  0  0  0  2
    2.5530   -0.1175    0.9203 C   0  0  0  0  0  0  0  0  0  3
    3.8800   -2.1949    0.4048 C   0  0  0  0  0  0  0  0  0  4
    3.6463    0.8187    0.2911 C   0  0  0  0  0  0  0  0  0  5
    4.9212    0.0472    0.0582 C   0  0  0  0  0  0  0  0  0  6
    5.0235   -1.2667    0.0960 C   0  0  0  0  0  0  0  0  0  7
    2.2305   -1.2430   -1.3409 C   0  0  0  0  0  0  0  0  0  8
    6.2093    0.5680   -0.2504 C   0  0  0  0  0  0  0  0  0  9
    7.0571   -0.4553   -0.3733 C   0  0  0  0  0  0  0  0  0 10
    6.5569    2.0198   -0.4017 C   0  0  0  0  0  0  0  0  0 11
    1.7108   -2.1118    0.5764 H   0  0  0  0  0  0  0  0  0 12
    1.5788    0.3651    0.8426 H   0  0  0  0  0  0  0  0  0 13
    2.7900   -0.2918    1.9699 H   0  0  0  0  0  0  0  0  0 14
    3.9465   -2.5116    1.4456 H   0  0  0  0  0  0  0  0  0 15
    3.9410   -3.0675   -0.2456 H   0  0  0  0  0  0  0  0  0 16
    3.2826    1.2083   -0.6597 H   0  0  0  0  0  0  0  0  0 17
    3.8458    1.6467    0.9713 H   0  0  0  0  0  0  0  0  0 18
    2.2035   -2.2023   -1.8577 H   0  0  0  0  0  0  0  0  0 19
    3.0201   -0.6237   -1.7667 H   0  0  0  0  0  0  0  0  0 20
    1.2709   -0.7399   -1.4594 H   0  0  0  0  0  0  0  0  0 21
    8.1204   -0.3900   -0.6037 H   0  0  0  0  0  0  0  0  0 22
    7.6163    2.1175   -0.6385 H   0  0  0  0  0  0  0  0  0 23
    6.3434    2.5440    0.5298 H   0  0  0  0  0  0  0  0  0 24
    5.9638    2.4539   -1.2066 H   0  0  0  0  0  0  0  0  0 25
  1  7  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2 12  1  0  0  0
  3  5  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  7  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  5 18  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 22  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
329983

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
144

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwIAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgBgAAAGgAAAAAADQSgmAIiBIAABECIAohSgAACCAAkIAAAiAEECMgMJjKENRqCGSCkwBEIqQeIyPCOgAAAAAAAAACAAAIAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran

> <PUBCHEM_IUPAC_CAS_NAME>
3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran

> <PUBCHEM_IUPAC_NAME>
3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
YGWKXXYGDYYFJU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
150.104

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14O

> <PUBCHEM_MOLECULAR_WEIGHT>
150.218

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2=C(C1)OC=C2C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2=C(C1)OC=C2C

> <PUBCHEM_CACTVS_TPSA>
13.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
150.104

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
1  10  8
1  7  8
2  8  3
6  7  8
6  9  8
9  10  8

$$$$
