calcium;sodium;benzoic acid;hydride;propanoic acid

C10H15CaNaO4 — CID 174936920

IUPACcalcium;sodium;benzoic acid;hydride;propanoic acid
SMILESCCC(=O)O.O=C(O)c1ccccc1.[Ca+2].[H-].[H-].[H-].[Na+]
InChIInChI=1S/C7H6O2.C3H6O2.Ca.Na.3H/c8-7(9)6-4-2-1-3-5-6;1-2-3(4)5;;;;;/h1-5H,(H,8,9);2H2,1H3,(H,4,5);;;;;/q;;+2;+1;3*-1
InChIKeyNNRPIMJOXNTZAJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.17
Rot. Bonds2

About calcium;sodium;benzoic acid;hydride;propanoic acid

calcium;sodium;benzoic acid;hydride;propanoic acid (PubChem CID 174936920) has the molecular formula C10H15CaNaO4 and a molecular weight of 262.29 g/mol. Its IUPAC name is calcium;sodium;benzoic acid;hydride;propanoic acid.

Molecular Properties

Compound Namecalcium;sodium;benzoic acid;hydride;propanoic acid
PubChem CID174936920
Molecular FormulaC10H15CaNaO4
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Namecalcium;sodium;benzoic acid;hydride;propanoic acid
SMILESCCC(=O)O.O=C(O)c1ccccc1.[Ca+2].[H-].[H-].[H-].[Na+]
InChIInChI=1S/C7H6O2.C3H6O2.Ca.Na.3H/c8-7(9)6-4-2-1-3-5-6;1-2-3(4)5;;;;;/h1-5H,(H,8,9);2H2,1H3,(H,4,5);;;;;/q;;+2;+1;3*-1
InChIKeyNNRPIMJOXNTZAJ-UHFFFAOYSA-N
XLogP-1.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of calcium;sodium;benzoic acid;hydride;propanoic acid?
The IUPAC name of calcium;sodium;benzoic acid;hydride;propanoic acid (CID 174936920) is calcium;sodium;benzoic acid;hydride;propanoic acid.
What is the SMILES notation for calcium;sodium;benzoic acid;hydride;propanoic acid?
The canonical SMILES for calcium;sodium;benzoic acid;hydride;propanoic acid is CCC(=O)O.O=C(O)c1ccccc1.[Ca+2].[H-].[H-].[H-].[Na+].
What is the InChIKey of calcium;sodium;benzoic acid;hydride;propanoic acid?
The InChIKey is NNRPIMJOXNTZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C3H6O2.Ca.Na.3H/c8-7(9)6-4-2-1-3-5-6;1-2-3(4)5;;;;;/h1-5H,(H,8,9);2H2,1H3,(H,4,5);;;;;/q;;+2;+1;3*-1.
What are the key properties of calcium;sodium;benzoic acid;hydride;propanoic acid?
calcium;sodium;benzoic acid;hydride;propanoic acid has a molecular weight of 262.29 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;benzoic acid;hydride;propanoic acid is sourced from PubChem (CID 174936920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).