calcium;lithium;carbonic acid;hydride;molecular hydrogen

CH7CaLiO3 — CID 174909682

IUPACcalcium;lithium;carbonic acid;hydride;molecular hydrogen
SMILESO=C(O)O.[Ca+2].[H-].[H-].[H-].[H][H].[Li+]
InChIInChI=1S/CH2O3.Ca.Li.H2.3H/c2-1(3)4;;;;;;/h(H2,2,3,4);;;1H;;;/q;+2;+1;;3*-1
InChIKeyHJSZYWBNFXQQNQ-UHFFFAOYSA-N
MW114.08 g/mol
LogP-2.57
Rot. Bonds

About calcium;lithium;carbonic acid;hydride;molecular hydrogen

calcium;lithium;carbonic acid;hydride;molecular hydrogen (PubChem CID 174909682) has the molecular formula CH7CaLiO3 and a molecular weight of 114.08 g/mol. Its IUPAC name is calcium;lithium;carbonic acid;hydride;molecular hydrogen.

Molecular Properties

Compound Namecalcium;lithium;carbonic acid;hydride;molecular hydrogen
PubChem CID174909682
Molecular FormulaCH7CaLiO3
Molecular Weight114.08 g/mol
Exact Mass114.02
IUPAC Namecalcium;lithium;carbonic acid;hydride;molecular hydrogen
SMILESO=C(O)O.[Ca+2].[H-].[H-].[H-].[H][H].[Li+]
InChIInChI=1S/CH2O3.Ca.Li.H2.3H/c2-1(3)4;;;;;;/h(H2,2,3,4);;;1H;;;/q;+2;+1;;3*-1
InChIKeyHJSZYWBNFXQQNQ-UHFFFAOYSA-N
XLogP-2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.08
LogP ≤ 5-2.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of calcium;lithium;carbonic acid;hydride;molecular hydrogen?
The IUPAC name of calcium;lithium;carbonic acid;hydride;molecular hydrogen (CID 174909682) is calcium;lithium;carbonic acid;hydride;molecular hydrogen.
What is the SMILES notation for calcium;lithium;carbonic acid;hydride;molecular hydrogen?
The canonical SMILES for calcium;lithium;carbonic acid;hydride;molecular hydrogen is O=C(O)O.[Ca+2].[H-].[H-].[H-].[H][H].[Li+].
What is the InChIKey of calcium;lithium;carbonic acid;hydride;molecular hydrogen?
The InChIKey is HJSZYWBNFXQQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Ca.Li.H2.3H/c2-1(3)4;;;;;;/h(H2,2,3,4);;;1H;;;/q;+2;+1;;3*-1.
What are the key properties of calcium;lithium;carbonic acid;hydride;molecular hydrogen?
calcium;lithium;carbonic acid;hydride;molecular hydrogen has a molecular weight of 114.08 g/mol, XLogP of -2.57, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;lithium;carbonic acid;hydride;molecular hydrogen is sourced from PubChem (CID 174909682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).