Marvin  01300621302D          

  3  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <ID>
CHEBI:3312

> <NAME>
calcium dichloride

> <STAR>
3

> <SYNONYM>
calcium chloride anhydrous; Calcium chloride anhydrous; CaCl2; [CaCl2]

> <IUPAC_NAME>
calcium dichloride; calcium chloride

> <FORMULA>
CaCl2

> <MASS>
110.98340

> <MONOISOTOPIC_MASS>
109.90030

> <CHARGE>
0

> <SMILES>
[Cl-].[Cl-].[Ca++]

> <INCHI>
InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2

> <INCHIKEY>
UXVMQQNJUSDDNG-UHFFFAOYSA-L

> <CAS_REGISTRY_NUMBER>
10043-52-4

> <CHEMIDPLUS>
10043-52-4

> <DRUGBANK_ACCESSION>
DB01164

> <KEGG_COMPOUND_ACCESSION>
C08130

> <METACYC_ACCESSION>
CPD0-1589

> <MOLBASE_ACCESSION>
1869

> <NIST_CHEMISTRY_WEBBOOK>
10043-52-4

> <WIKIPEDIA_ACCESSION>
Calcium_Chloride

> <AGRICOLA_CITATION>
IND607339542

> <PUBMED_CITATION>
11057678; 13333715; 32018153; 32441097; 34618995; 34981086; 35159430; 35159592; 35200459; 35260323

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