chempirical

Sodium α-naphthaleneacetate

C12H9NaO2CAS 61-31-4208.19 g/mol

Open in Covalent MOL file
O−ONa+
Carboxylic acid

Properties

Molecular formula
C12H9NaO2
Molar mass
208.19 g/mol
Exact mass
208.0500 Da
logP
2.09Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
61-31-4
SMILES
[O-]C(=O)Cc1cccc2ccccc12.[Na+]
InChIKey
SNMLHWKCAMEYHB-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);

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Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1-Naphthaleneacetic acid, sodium salt (1:1)
  • 1-Naphthaleneacetic acid, sodium salt
  • Pomonit
  • Sodium 1-naphthylacetate
  • Sodium α-naphthylacetate
  • 1-Naphthylacetic acid sodium salt
  • Sodium 1-naphthaleneacetate
  • Radi-stim
  • Stik
  • Pomonit R 10
  • Stik (growth regulator)
  • α-Naphthylacetic acid sodium salt

Work with Sodium α-naphthaleneacetate

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

Potassium α-naphthaleneacetate15165-79-482 % similar Sodium phenylacetate114-70-556 % similar 1-Naphthaleneacetic acid86-87-354 % similar Diclofenac sodium15307-79-652 % similar Methyl 1-naphthylacetate2876-78-050 % similar Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1)61618-27-750 % similar 1-Naphthaleneacetamide86-86-250 % similar 3-Indolylacetic acid potassium salt2338-19-447 % similar

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

Elsewhere

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