7737
  -OEChem-04192417072D

 16 16  0     0  0  0  0  0  0999 V2000
    3.7320    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7737

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
110

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAUCAAACAiBEAAwwIBQAACBACRCQgCCAAAgAgAoiAAAZIoIICKAkZGAIABgkAAIyAcQAAAAAACAAAAAAAAAAQAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-nitrosophenyl)hydroxylamine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-nitrosophenyl)hydroxylamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-nitrosophenyl)hydroxylamine

> <PUBCHEM_IUPAC_NAME>
N-(4-nitrosophenyl)hydroxylamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-nitrosophenyl)hydroxylamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-nitrosophenyl)hydroxylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,7,9H

> <PUBCHEM_IUPAC_INCHIKEY>
DZCCLNYLUGNUKQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.1

> <PUBCHEM_EXACT_MASS>
138.042927438

> <PUBCHEM_MOLECULAR_FORMULA>
C6H6N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
138.12

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1NO)N=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1NO)N=O

> <PUBCHEM_CACTVS_TPSA>
61.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
138.042927438

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

> <PUBCHEM_BONDANNOTATIONS>
5  6  8
5  7  8
6  9  8
7  10  8
8  10  8
8  9  8

$$$$