calcium;carbonate;hydrate

CH2CaO4 — CID 23282065

IUPACcalcium;carbonate;hydrate
SMILESO.O=C([O-])[O-].[Ca+2]
InChIInChI=1S/CH2O3.Ca.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2
InChIKeyVMLAJPONBZSGBD-UHFFFAOYSA-L
MW118.10 g/mol
LogP-3.65
Rot. Bonds

About calcium;carbonate;hydrate

calcium;carbonate;hydrate (PubChem CID 23282065) has the molecular formula CH2CaO4 and a molecular weight of 118.10 g/mol. Its IUPAC name is calcium;carbonate;hydrate.

Molecular Properties

Compound Namecalcium;carbonate;hydrate
PubChem CID23282065
Molecular FormulaCH2CaO4
Molecular Weight118.10 g/mol
Exact Mass117.96
IUPAC Namecalcium;carbonate;hydrate
SMILESO.O=C([O-])[O-].[Ca+2]
InChIInChI=1S/CH2O3.Ca.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2
InChIKeyVMLAJPONBZSGBD-UHFFFAOYSA-L
XLogP-3.65
TPSA94.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.10
LogP ≤ 5-3.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;carbonate;hydrate?
The IUPAC name of calcium;carbonate;hydrate (CID 23282065) is calcium;carbonate;hydrate.
What is the SMILES notation for calcium;carbonate;hydrate?
The canonical SMILES for calcium;carbonate;hydrate is O.O=C([O-])[O-].[Ca+2].
What is the InChIKey of calcium;carbonate;hydrate?
The InChIKey is VMLAJPONBZSGBD-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Ca.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2.
What are the key properties of calcium;carbonate;hydrate?
calcium;carbonate;hydrate has a molecular weight of 118.10 g/mol, XLogP of -3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;carbonate;hydrate is sourced from PubChem (CID 23282065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).