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3983-19-5

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Basic Information
CAS No.: 3983-19-5
Name: calcium bicarbonate
Molecular Structure:
Molecular Structure of 3983-19-5 (calcium bicarbonate)
Formula: C2H4CaO6
Molecular Weight: 164.12756
Synonyms: Calciumbicarbonate;Calcium carbonate (Ca(HCO3)2);Calcium hydrogen carbonate;Calciumhydrogen carbonate (Ca(HCO3)2);
PSA: 120.72000
LogP: -2.22460
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Specification

The Carbonic acid, calciumsalt (2:1) (8CI,9CI) is an organic compound with the formula C2H4CaO6. The IUPAC name of this chemical is calcium; carbonic acid. With the CAS registry number 3983-19-5, it is also named as Calcium bicarbonate.

Physical properties about Carbonic acid, calciumsalt (2:1) (8CI,9CI) are: (1)H-Bond Donor: 4; (2)H-Bond Acceptor: 6; (3)Tautomer Count: 2; (4)Exact Mass: 163.963379; (5)MonoIsotopic Mass: 163.963379; (6)Topological Polar Surface Area: 115; (7)Heavy Atom Count: 9; (8)Complexity: 26.3; (9)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=O)(O)O.C(=O)(O)O.[Ca]
(2)InChI: InChI=1S/2CH2O3.Ca/c2*2-1(3)4;/h2*(H2,2,3,4);
(3)InChIKey: YMUBXRIMXRHGNK-UHFFFAOYSA-N