769
  -OEChem-05122406392D

  5  4  0     0  0  0  0  0  0999 V2000
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
769

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
24.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAACAAAAAAAAAAACAAAAgAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hydrogen carbonate

> <PUBCHEM_IUPAC_CAS_NAME>
hydrogen carbonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
hydrogen carbonate

> <PUBCHEM_IUPAC_NAME>
hydrogen carbonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hydrogen carbonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
bicarbonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
BVKZGUZCCUSVTD-UHFFFAOYSA-M

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
60.992568890

> <PUBCHEM_MOLECULAR_FORMULA>
CHO3-

> <PUBCHEM_MOLECULAR_WEIGHT>
61.017

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
60.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
60.992568890

> <PUBCHEM_TOTAL_CHARGE>
-1

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$