CALCIUM CARBONATE
Relevant Data
Food Additives Approved by WHO:
General Information
| Mainterm | CALCIUM CARBONATE |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 471-34-1 |
| Regnum |
175.300 176.170 177.2260 178.3297 181.29 177.1680 177.1600 169.115 137.105 137.350 182.5191 184.1191 73.1070 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 10112 |
| IUPAC Name | calcium;carbonate |
| InChI | InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2 |
| InChI Key | VTYYLEPIZMXCLO-UHFFFAOYSA-L |
| Canonical SMILES | C(=O)([O-])[O-].[Ca+2] |
| Molecular Formula | CaCO3 |
| Wikipedia | calcium carbonate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 100.086 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Complexity | 18.8 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A M A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A g A A A A A A A A A A A A A A C A A A A A A I A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 63.2 |
| Monoisotopic Mass | 99.947 |
| Exact Mass | 99.947 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Food Additives Biosynthesis/Degradation
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic carbonic acids and derivatives |
| Subclass | Organic carbonic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic carbonic acids |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carbonate salt - Carbonic acid - Organic calcium salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group. |
From ClassyFire