disodium;hydrogen carbonate;2-phenylphenolate

C13H10Na2O4 — CID 159083163

IUPACdisodium;hydrogen carbonate;2-phenylphenolate
SMILESO=C([O-])O.[Na+].[Na+].[O-]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.CH2O3.2Na/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;;2*+1/p-2
InChIKeyGTDSVKOQPIWEFZ-UHFFFAOYSA-L
MW276.20 g/mol
LogP-4.68
Rot. Bonds1

About disodium;hydrogen carbonate;2-phenylphenolate

disodium;hydrogen carbonate;2-phenylphenolate (PubChem CID 159083163) has the molecular formula C13H10Na2O4 and a molecular weight of 276.20 g/mol. Its IUPAC name is disodium;hydrogen carbonate;2-phenylphenolate.

Molecular Properties

Compound Namedisodium;hydrogen carbonate;2-phenylphenolate
PubChem CID159083163
Molecular FormulaC13H10Na2O4
Molecular Weight276.20 g/mol
Exact Mass276.04
IUPAC Namedisodium;hydrogen carbonate;2-phenylphenolate
SMILESO=C([O-])O.[Na+].[Na+].[O-]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.CH2O3.2Na/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;;2*+1/p-2
InChIKeyGTDSVKOQPIWEFZ-UHFFFAOYSA-L
XLogP-4.68
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 5-4.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of disodium;hydrogen carbonate;2-phenylphenolate?
The IUPAC name of disodium;hydrogen carbonate;2-phenylphenolate (CID 159083163) is disodium;hydrogen carbonate;2-phenylphenolate.
What is the SMILES notation for disodium;hydrogen carbonate;2-phenylphenolate?
The canonical SMILES for disodium;hydrogen carbonate;2-phenylphenolate is O=C([O-])O.[Na+].[Na+].[O-]c1ccccc1-c1ccccc1.
What is the InChIKey of disodium;hydrogen carbonate;2-phenylphenolate?
The InChIKey is GTDSVKOQPIWEFZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10O.CH2O3.2Na/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;;2*+1/p-2.
What are the key properties of disodium;hydrogen carbonate;2-phenylphenolate?
disodium;hydrogen carbonate;2-phenylphenolate has a molecular weight of 276.20 g/mol, XLogP of -4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydrogen carbonate;2-phenylphenolate is sourced from PubChem (CID 159083163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).