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Chemistry

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Also known as: Lev48803s9, Unii-lev48803s9, Calcium chloride (cacl2), monohydrate, Calcium chloride hydrate (99.999+%-ca) puratrem, Calcium chloride hydrate, 99.999% trace metals basis
Molecular Formula
CaCl2H2O
Molecular Weight
129.00  g/mol
InChI Key
YMIFCOGYMQTQBP-UHFFFAOYSA-L
FDA UNII
LEV48803S9

Calcium Chloride Monohydrate
1 2D Structure

Calcium Chloride Monohydrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;dichloride;hydrate
2.1.2 InChI
InChI=1S/Ca.2ClH.H2O/h;2*1H;1H2/q+2;;;/p-2
2.1.3 InChI Key
YMIFCOGYMQTQBP-UHFFFAOYSA-L
2.1.4 Canonical SMILES
O.[Cl-].[Cl-].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
LEV48803S9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Lev48803s9

2. Unii-lev48803s9

3. Calcium Chloride (cacl2), Monohydrate

4. Calcium Chloride Hydrate (99.999+%-ca) Puratrem

5. Calcium Chloride Hydrate, 99.999% Trace Metals Basis

2.4 Create Date
2007-07-12
3 Chemical and Physical Properties
Molecular Weight 129.00 g/mol
Molecular Formula CaCl2H2O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass127.9108609 g/mol
Monoisotopic Mass127.9108609 g/mol
Topological Polar Surface Area1 Ų
Heavy Atom Count4
Formal Charge0
Complexity2.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4

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