Ketcher 03312213452D 1   1.00000     0.00000     0

  5  3  0     0  0            999 V2000
    9.1052   -4.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1052   -3.8361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9711   -5.3361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2390   -5.3361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3854   -4.3975    0.0000 Ba  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
M  CHG  3   3  -1   4  -1   5   2
M  END
> <ID>
CHEBI:190439

> <NAME>
barium carbonate

> <DEFINITION>
An inorganic carbonate salt of barium.

> <STAR>
3

> <SYNONYM>
witherite; pigment white 10; CI pigment white 10; CI 77099; carbonic acid, barium salt (1:1); carbonic acid, barium salt; carbonic acid barium salt (1:1); carbonic acid barium salt; C.I. 77099; BW-P; BW-C3; barium(2+) carbonate; barium(II) carbonate; barium monocarbonate; barium carbonate (BaCO3); barium carbonate (1:1); BaCO3

> <IUPAC_NAME>
barium carbonate

> <FORMULA>
BaCO3; CO3.Ba

> <MASS>
197.335

> <MONOISOTOPIC_MASS>
197.88999

> <CHARGE>
0

> <SMILES>
[Ba++].[O-]C([O-])=O

> <INCHI>
InChI=1S/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2

> <INCHIKEY>
AYJRCSIUFZENHW-UHFFFAOYSA-L

> <CAS_REGISTRY_NUMBER>
513-77-9

> <CHEMIDPLUS>
513-77-9

> <NIST_CHEMISTRY_WEBBOOK>
513-77-9

> <WIKIPEDIA_ACCESSION>
Barium_carbonate

> <PUBMED_CITATION>
11584944; 15608647; 16789037; 16852157; 18378484; 19150841; 20066057; 20184709; 22233912; 22408978; 22806094; 25177218; 25362999; 26803273; 27984890; 28956246; 29049848; 32330906; 33934243; 34236738; 7870649; 9771803

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