sodium;hydrogen carbonate;2-phenylphenol

C13H11NaO4 — CID 175078237

IUPACsodium;hydrogen carbonate;2-phenylphenol
SMILESO=C([O-])O.Oc1ccccc1-c1ccccc1.[Na+]
InChIInChI=1S/C12H10O.CH2O3.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1(3)4;/h1-9,13H;(H2,2,3,4);/q;;+1/p-1
InChIKeyYINGAKPXLXEVGH-UHFFFAOYSA-M
MW254.22 g/mol
LogP-1.05
Rot. Bonds1

About sodium;hydrogen carbonate;2-phenylphenol

sodium;hydrogen carbonate;2-phenylphenol (PubChem CID 175078237) has the molecular formula C13H11NaO4 and a molecular weight of 254.22 g/mol. Its IUPAC name is sodium;hydrogen carbonate;2-phenylphenol.

Molecular Properties

Compound Namesodium;hydrogen carbonate;2-phenylphenol
PubChem CID175078237
Molecular FormulaC13H11NaO4
Molecular Weight254.22 g/mol
Exact Mass254.06
IUPAC Namesodium;hydrogen carbonate;2-phenylphenol
SMILESO=C([O-])O.Oc1ccccc1-c1ccccc1.[Na+]
InChIInChI=1S/C12H10O.CH2O3.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1(3)4;/h1-9,13H;(H2,2,3,4);/q;;+1/p-1
InChIKeyYINGAKPXLXEVGH-UHFFFAOYSA-M
XLogP-1.05
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen carbonate;2-phenylphenol?
The IUPAC name of sodium;hydrogen carbonate;2-phenylphenol (CID 175078237) is sodium;hydrogen carbonate;2-phenylphenol.
What is the SMILES notation for sodium;hydrogen carbonate;2-phenylphenol?
The canonical SMILES for sodium;hydrogen carbonate;2-phenylphenol is O=C([O-])O.Oc1ccccc1-c1ccccc1.[Na+].
What is the InChIKey of sodium;hydrogen carbonate;2-phenylphenol?
The InChIKey is YINGAKPXLXEVGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O.CH2O3.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1(3)4;/h1-9,13H;(H2,2,3,4);/q;;+1/p-1.
What are the key properties of sodium;hydrogen carbonate;2-phenylphenol?
sodium;hydrogen carbonate;2-phenylphenol has a molecular weight of 254.22 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen carbonate;2-phenylphenol is sourced from PubChem (CID 175078237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).