24529
  -OEChem-05092407552D

  4  3  0     0  0  0  0  0  0999 V2000
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24529

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAECAAAAAAAAAAAAAAAQAABAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
nitrous acid

> <PUBCHEM_IUPAC_CAS_NAME>
nitrous acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
nitrous acid

> <PUBCHEM_IUPAC_NAME>
nitrous acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
nitrous acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nitrous acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/HNO2/c2-1-3/h(H,2,3)

> <PUBCHEM_IUPAC_INCHIKEY>
IOVCWXUNBOPUCH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
47.000728275

> <PUBCHEM_MOLECULAR_FORMULA>
HNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
47.014

> <PUBCHEM_OPENEYE_CAN_SMILES>
N(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
N(=O)O

> <PUBCHEM_CACTVS_TPSA>
49.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
47.000728275

> <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

$$$$