38521
  -OEChem-05092407552D

 34 35  0     1  0  0  0  0  0999 V2000
    4.5878   -0.0719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878   -1.6899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2614   -0.1998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9840   -0.0188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9659    1.3825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388   -0.3809    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5388   -1.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0704    0.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923   -2.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826   -1.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    0.1972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923    0.5957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -1.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -2.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    0.5957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.1972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.4824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.2794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4418    0.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6678   -1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1554   -1.3161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6946    0.7209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019    0.6376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4856    0.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488   -0.6354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4675    1.7469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3995    1.6346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  2  0  0  0  0
  4 15  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 15  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
38521

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
245

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAAAAAAAHgAQAAAACBThgAYBCAJABAAgAAAAJAAAAAEAAAAAAAAAAAATAAIAAAAjAAAGAAAGAAGAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine

> <PUBCHEM_IUPAC_NAME>
2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
HPBNRIOWIXYZFK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
213.147726857

> <PUBCHEM_MOLECULAR_FORMULA>
C10H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
213.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2(CC1)OCC(O2)CN=C(N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2(CC1)OCC(O2)CN=C(N)N

> <PUBCHEM_CACTVS_TPSA>
82.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
213.147726857

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
12  14  3

$$$$