chempirical

Sodium P-hydroxybenzoate

C7H5NaO3CAS 114-63-6160.10 g/mol

Open in Covalent MOL file
O−OOHNa+
Carboxylic acidPhenol

Properties

Molecular formula
C7H5NaO3
Molar mass
160.10 g/mol
Exact mass
160.0136 Da
logP
0.71Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
114-63-6
SMILES
[O-]C(=O)c1ccc(O)cc1.[Na+]
InChIKey
UUJAFUUULNATAB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);

Weigh it out

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

Names and synonyms

11 names
  • Benzoic acid, 4-hydroxy-, sodium salt (1:1)
  • Benzoic acid, p-hydroxy-, monosodium salt
  • Benzoic acid, 4-hydroxy-, monosodium salt
  • Benzoic acid, p-hydroxy-, sodium salt
  • Sodium 4-hydroxybenzoate
  • p-Hydroxybenzoic acid sodium salt
  • Monosodium p-hydroxybenzoate
  • Monosodium 4-hydroxybenzoate
  • 4-Hydroxybenzoic acid sodium salt
  • p-Hydroxybenzoic acid monosodium salt
  • Sodium paraben

Work with Sodium P-hydroxybenzoate

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 benzoate532-32-161 % similar Sodium p-fluorobenzoate499-90-160 % similar Sodium P-aminobenzoate555-06-660 % similar Sodium gentisate4955-90-256 % similar 4-Trifluoromethylbenzoic acid sodium salt25832-58-055 % similar 4,4'-Dihydroxybenzophenone611-99-450 % similar 4-Hydroxybenzamide619-57-847 % similar 4-Hydroxybenzoic acid99-96-747 % similar

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

Same formula

Sodium salicylate54-21-7

Elsewhere

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