58867910
  -OEChem-04192403532D

 10  8  0     1  0  0  0  0  0999 V2000
    4.7690   -0.6760    0.0000 Y   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1900    0.0000 C   0  5  3  0  0  0  0  0  0  0  0  0
    3.4030   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590    0.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  CHG  1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
58867910

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
46.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCMAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACABAAgAIAACQCAAAAAAAAAAAAICAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminoacetic acid;yttrium

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminoacetic acid;yttrium

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-aminoacetic acid;yttrium

> <PUBCHEM_IUPAC_NAME>
2-aminoacetic acid;yttrium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanylethanoic acid;yttrium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoacetic acid;yttrium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4NO2.Y/c3-1-2(4)5;/h1H,3H2,(H,4,5);/q-1;

> <PUBCHEM_IUPAC_INCHIKEY>
YEATZNDOCPPZSC-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
162.930042

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4NO2Y-

> <PUBCHEM_MOLECULAR_WEIGHT>
162.96

> <PUBCHEM_OPENEYE_CAN_SMILES>
[CH-](C(=O)O)N.[Y]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[CH-](C(=O)O)N.[Y]

> <PUBCHEM_CACTVS_TPSA>
63.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
162.930042

> <PUBCHEM_TOTAL_CHARGE>
-1

> <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_NONSTANDARDBOND>
1  5  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$