159924
  -OEChem-05052415382D

 12 10  0     0  0  0  0  0  0999 V2000
    1.7320    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5675    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8775    4.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2575    5.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END
> <PUBCHEM_COMPOUND_CID>
159924

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
26.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYADMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAAUCAAAAAAAAAQCAABAQAABAAAAAQAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methanamine;nitric acid

> <PUBCHEM_IUPAC_CAS_NAME>
methanamine;nitric acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
methanamine;nitric acid

> <PUBCHEM_IUPAC_NAME>
methanamine;nitric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methanamine;nitric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methylamine;nitric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH5N.HNO3/c1-2;2-1(3)4/h2H2,1H3;(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
PTIUDKQYXMFYAI-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
94.03784206

> <PUBCHEM_MOLECULAR_FORMULA>
CH6N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
94.07

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN.[N+](=O)(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN.[N+](=O)(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
92.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
94.03784206

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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_COORDINATE_TYPE>
1
5
255

$$$$