calcium;carbonic acid;hydride;dihydrochloride

CH6CaCl2O3 — CID 174815432

IUPACcalcium;carbonic acid;hydride;dihydrochloride
SMILESCl.Cl.O=C(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH2O3.Ca.2ClH.2H/c2-1(3)4;;;;;/h(H2,2,3,4);;2*1H;;/q;+2;;;2*-1
InChIKeyUWZJMKYFOYJHOQ-UHFFFAOYSA-N
MW177.04 g/mol
LogP0.91
Rot. Bonds

About calcium;carbonic acid;hydride;dihydrochloride

calcium;carbonic acid;hydride;dihydrochloride (PubChem CID 174815432) has the molecular formula CH6CaCl2O3 and a molecular weight of 177.04 g/mol. Its IUPAC name is calcium;carbonic acid;hydride;dihydrochloride.

Molecular Properties

Compound Namecalcium;carbonic acid;hydride;dihydrochloride
PubChem CID174815432
Molecular FormulaCH6CaCl2O3
Molecular Weight177.04 g/mol
Exact Mass175.93
IUPAC Namecalcium;carbonic acid;hydride;dihydrochloride
SMILESCl.Cl.O=C(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH2O3.Ca.2ClH.2H/c2-1(3)4;;;;;/h(H2,2,3,4);;2*1H;;/q;+2;;;2*-1
InChIKeyUWZJMKYFOYJHOQ-UHFFFAOYSA-N
XLogP0.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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calcium;carbonic acid;hydride;phosphane
CID 174337787
calcium;disodium;carbonic acid;hydride
CID 174940412
carbonic acid;molybdenum
CID 87095974
lithium;potassium;carbonic acid;hydride;hydrochloride
CID 174789895
calcium;magnesium;alumane;carbonic acid;hydride
CID 175056426
calcium;alumane;carbonic acid;hydride;trihydrate
CID 173174353
sodium;carbonic acid;hydride
CID 173065911
trimagnesium;carbonic acid;hydride
CID 173236021
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CID 19067532

Frequently Asked Questions

What is the IUPAC name of calcium;carbonic acid;hydride;dihydrochloride?
The IUPAC name of calcium;carbonic acid;hydride;dihydrochloride (CID 174815432) is calcium;carbonic acid;hydride;dihydrochloride.
What is the SMILES notation for calcium;carbonic acid;hydride;dihydrochloride?
The canonical SMILES for calcium;carbonic acid;hydride;dihydrochloride is Cl.Cl.O=C(O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;carbonic acid;hydride;dihydrochloride?
The InChIKey is UWZJMKYFOYJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Ca.2ClH.2H/c2-1(3)4;;;;;/h(H2,2,3,4);;2*1H;;/q;+2;;;2*-1.
What are the key properties of calcium;carbonic acid;hydride;dihydrochloride?
calcium;carbonic acid;hydride;dihydrochloride has a molecular weight of 177.04 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;carbonic acid;hydride;dihydrochloride is sourced from PubChem (CID 174815432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).