chempirical

Sodium 3-hydroxy-2-naphthoate

C11H7NaO3CAS 14206-62-3210.16 g/mol

Open in Covalent MOL file
O−OHONa+
Carboxylic acidPhenol

Properties

Molecular formula
C11H7NaO3
Molar mass
210.16 g/mol
Exact mass
210.0293 Da
logP
1.86Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
14206-62-3
SMILES
[O-]C(=O)c1cc2ccccc2cc1O.[Na+]
InChIKey
QHBWFMCAOZZWRK-UHFFFAOYSA-N
InChI
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);

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Names and synonyms

7 names
  • 2-Naphthalenecarboxylic acid, 3-hydroxy-, sodium salt (1:1)
  • 2-Naphthoic acid, 3-hydroxy-, monosodium salt
  • 2-Naphthalenecarboxylic acid, 3-hydroxy-, monosodium salt
  • Sodium 2-hydroxy-3-naphthoate
  • 3-Hydroxy-2-naphthalenecarboxylic acid sodium salt
  • Sodium 3-hydroxy-2-naphthalenecarboxylate
  • 3-Hydroxy-2-naphthoic acid sodium salt

Work with Sodium 3-hydroxy-2-naphthoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium salicylate54-21-765 % similar Sodium gentisate4955-90-259 % similar Sodium P-aminosalicylate133-10-856 % similar Olsalazine sodium6054-98-456 % similar Disodium pamoate6640-22-856 % similar 3-Hydroxy-2-naphthoic acid92-70-656 % similar Lithium salicylate552-38-551 % similar Potassium salicylate578-36-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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