24402
 OpenBabel05082101102D

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.4030    0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    1.7320    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.2690    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8059    1.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    4.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930    4.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7130    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END
>  <PUBCHEM_COMPOUND_CID>
24402

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
49.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYACOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQCCAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_CAS_NAME>
ammonium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
azanium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_NAME>
azanium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azanium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonium;dihydrogen phosphate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)

>  <PUBCHEM_IUPAC_INCHIKEY>
LFVGISIMTYGQHF-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
115.003445

>  <PUBCHEM_MOLECULAR_FORMULA>
H6NO4P

>  <PUBCHEM_MOLECULAR_WEIGHT>
115.03

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[NH4+].OP(=O)(O)[O-]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[NH4+].OP(=O)(O)[O-]

>  <PUBCHEM_CACTVS_TPSA>
81.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
115.003445

>  <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

$$$$
