170898413
  -OEChem-04242409482D

 19 18  0     0  0  0  0  0  0999 V2000
    3.4030   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  3  0  0  0  0
  8 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
170898413

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
81.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAUAAAACACggAIAAAAAAABAGAAAAAgAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
O-hex-5-ynylhydroxylamine

> <PUBCHEM_IUPAC_CAS_NAME>
O-hex-5-ynylhydroxylamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>O</I>-hex-5-ynylhydroxylamine

> <PUBCHEM_IUPAC_NAME>
O-hex-5-ynylhydroxylamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
O-hex-5-ynylhydroxylamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
O-hex-5-ynylhydroxylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H11NO/c1-2-3-4-5-6-8-7/h1H,3-7H2

> <PUBCHEM_IUPAC_INCHIKEY>
QQXXTUURZYKURP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.6

> <PUBCHEM_EXACT_MASS>
113.084063974

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11NO

> <PUBCHEM_MOLECULAR_WEIGHT>
113.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C#CCCCCON

> <PUBCHEM_OPENEYE_ISO_SMILES>
C#CCCCCON

> <PUBCHEM_CACTVS_TPSA>
35.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
113.084063974

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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

$$$$
