64655
  -OEChem-04262419212D

  6  4  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 O   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
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
M  CHG  4   2   3   3  -1   4  -1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
64655

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
36.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAIAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
aluminum;phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
aluminum;phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
aluminum;phosphate

> <PUBCHEM_IUPAC_NAME>
aluminum;phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
aluminum;phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
aluminum;phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
ILRRQNADMUWWFW-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
121.9349589

> <PUBCHEM_MOLECULAR_FORMULA>
AlO4P

> <PUBCHEM_MOLECULAR_WEIGHT>
121.953

> <PUBCHEM_OPENEYE_CAN_SMILES>
[O-]P(=O)([O-])[O-].[Al+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[O-]P(=O)([O-])[O-].[Al+3]

> <PUBCHEM_CACTVS_TPSA>
86.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
121.9349589

> <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

$$$$