444361
  -OEChem-04272401212D

  6  5  0     0  0  0  0  0  0999 V2000
    4.2690    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
444361

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAUCAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
azonous acid

> <PUBCHEM_IUPAC_CAS_NAME>
azonous acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
azonous acid

> <PUBCHEM_IUPAC_NAME>
azonous acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azonous acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
azonous acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/H3NO2/c2-1-3/h1-3H

> <PUBCHEM_IUPAC_INCHIKEY>
AMEDKBHURXXSQO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1.2

> <PUBCHEM_EXACT_MASS>
49.016378338

> <PUBCHEM_MOLECULAR_FORMULA>
H3NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
49.030

> <PUBCHEM_OPENEYE_CAN_SMILES>
N(O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
N(O)O

> <PUBCHEM_CACTVS_TPSA>
52.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
49.016378338

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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

$$$$