Mrv0541 02241204332D          

  5  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    3.2411    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1145

> <DATABASE_NAME>
t3db

> <SMILES>
[Mn].OC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3.Mn/c2-1(3)4;/h(H2,2,3,4);

> <INCHI_KEY>
SDPBZSAJSUJVAT-UHFFFAOYSA-N

> <FORMULA>
CH2MnO3

> <MOLECULAR_WEIGHT>
116.9628

> <EXACT_MASS>
116.938443566

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
4.2300060408655416

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
carbonic acid manganese

> <JCHEM_LOGP>
0.25005136566666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618219

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
9.498199999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
carbonic acid manganese

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1145

> <NAME>
Manganese carbonate

> <CAS>
598-62-9

> <SYNONYMS>
Carbonic acid (acd/name 4.0); Carbonic acid, manganese(2+) salt (1:1); Manganese carbonate (1:1); Manganese carbonate (MnCO3); Manganese carbonate, MnCO3; Manganese carbonic acid; Manganese(2+) carbonate; Manganese(2+) carbonate (1:1); Manganese(II) carbonate; Manganous carbonate

> <TYPES>
Inorganic Compound; Organic Compound; Manganese Compound; Pollutant; Food Toxin; Natural Compound

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