sodium 3-hydroxynaphthalene-2-carboxylate

C11H7NaO3 — CID 23672297

IUPACsodium 3-hydroxynaphthalene-2-carboxylate
SMILESO=C([O-])c1cc2ccccc2cc1O.[Na+]
InChIInChI=1S/C11H8O3.Na/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6,12H,(H,13,14);/q;+1/p-1
InChIKeyZCNGWQCRXUGQCW-UHFFFAOYSA-M
MW210.16 g/mol
LogP-2.09
Rot. Bonds1

About sodium 3-hydroxynaphthalene-2-carboxylate

sodium 3-hydroxynaphthalene-2-carboxylate (PubChem CID 23672297) has the molecular formula C11H7NaO3 and a molecular weight of 210.16 g/mol. Its IUPAC name is sodium 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namesodium 3-hydroxynaphthalene-2-carboxylate
PubChem CID23672297
Molecular FormulaC11H7NaO3
Molecular Weight210.16 g/mol
Exact Mass210.03
IUPAC Namesodium 3-hydroxynaphthalene-2-carboxylate
SMILESO=C([O-])c1cc2ccccc2cc1O.[Na+]
InChIInChI=1S/C11H8O3.Na/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6,12H,(H,13,14);/q;+1/p-1
InChIKeyZCNGWQCRXUGQCW-UHFFFAOYSA-M
XLogP-2.09
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 5-2.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of sodium 3-hydroxynaphthalene-2-carboxylate (CID 23672297) is sodium 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for sodium 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for sodium 3-hydroxynaphthalene-2-carboxylate is O=C([O-])c1cc2ccccc2cc1O.[Na+].
What is the InChIKey of sodium 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is ZCNGWQCRXUGQCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8O3.Na/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6,12H,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 3-hydroxynaphthalene-2-carboxylate?
sodium 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 210.16 g/mol, XLogP of -2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 23672297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).