60140945
  -OEChem-05122404262D

 18 17  0     1  0  0  0  0  0999 V2000
    4.9849   -1.6082    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.0693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770   -0.6300    0.0000 C   0  5  3  0  0  0  0  0  0  0  0  0
    3.6180    0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7552   -0.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887    0.3697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554    0.9621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1706   -0.7589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8841   -1.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3616   -0.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6262    0.1843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    2.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    2.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  CHG  1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
60140945

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
65.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgIAAAAAAAAgAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgAAAAAACASgkAIyBIAABECIAKhSgAACCAAkIAAIiAEGCMgMJjKENRqCGSCkwBEIqYeIyCCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-propylfuran;yttrium

> <PUBCHEM_IUPAC_CAS_NAME>
2-propylfuran;yttrium

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-propylfuran;yttrium

> <PUBCHEM_IUPAC_NAME>
2-propylfuran;yttrium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-propylfuran;yttrium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-propylfuran;yttrium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H9O.Y/c1-2-4-7-5-3-6-8-7;/h2-3,5-6H,4H2,1H3;/q-1;

> <PUBCHEM_IUPAC_INCHIKEY>
NSYYZMIYOYSEPP-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
197.971178

> <PUBCHEM_MOLECULAR_FORMULA>
C7H9OY-

> <PUBCHEM_MOLECULAR_WEIGHT>
198.05

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[CH-]CC1=CC=CO1.[Y]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[CH-]CC1=CC=CO1.[Y]

> <PUBCHEM_CACTVS_TPSA>
13.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
197.971178

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  4  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  5  8
2  9  8
5  7  8
7  8  8
8  9  8

$$$$