57473743
  -OEChem-04162408592D

  6  4  0     0  0  0  0  0  0999 V2000
    0.8845    0.0000    0.0000 La  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57473743

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgAACAAAAAAAAAMACAAAAgAIAAAAiAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
formic acid;lanthanum

> <PUBCHEM_IUPAC_CAS_NAME>
formic acid;lanthanum

> <PUBCHEM_IUPAC_NAME_MARKUP>
formic acid;lanthanum

> <PUBCHEM_IUPAC_NAME>
formic acid;lanthanum

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
lanthanum;methanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
formic acid;lanthanum

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH2O2.La/c2-1-3;/h1H,(H,2,3);

> <PUBCHEM_IUPAC_INCHIKEY>
YKIAZARODMJWBV-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
184.911842

> <PUBCHEM_MOLECULAR_FORMULA>
CH2LaO2

> <PUBCHEM_MOLECULAR_WEIGHT>
184.931

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)O.[La]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)O.[La]

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
184.911842

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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

$$$$