Citric acid, calcium salt structure

Citric acid, calcium salt

calcium 3-carboxy-3-hydroxypentanedioate

CAS: 7693-13-2
Molecular Formula C6H6CaO7
Molecular Weight 230.19 g/mol
Topological Polar Surface Area 138.0 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 3
Exact Mass 229.97394
Heavy Atoms 14
Complexity 216.0

Chemical Identifiers

CAS Number 7693-13-2
SMILES C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Ca+2]
InChIKey PFKGDYCESFRMAP-UHFFFAOYSA-L

📖 Product Overview

Citric acid, calcium salt (CAS: 7693-13-2) is a chemical compound with molecular formula C6H6CaO7 and molecular weight 230.19 g/mol. Its IUPAC systematic name is calcium 3-carboxy-3-hydroxypentanedioate. Topological Polar Surface Area 138.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 229.97394 Heavy Atoms 14 Complexity 216.0 InChI Key: PFKGDYCESFRMAP-UHFFFAOYSA-L. SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Ca+2].

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