chempirical

Sodium ethyl P-hydroxybenzoate

C9H9NaO3CAS 35285-68-8188.16 g/mol

Open in Covalent MOL file
OOO−Na+
EsterPhenol

Properties

Molecular formula
C9H9NaO3
Molar mass
188.16 g/mol
Exact mass
188.0449 Da
logP
1.19Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
35285-68-8
SMILES
CCOC(=O)c1ccc([O-])cc1.[Na+]
InChIKey
HLEKLAHSVAPCPF-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3.Na/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;

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Names and synonyms

11 names
  • Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt (1:1)
  • Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt
  • Benzoic acid, p-hydroxy-, ethyl ester, sodium deriv.
  • Sodium p-(carbethoxy)phenoxide
  • Ethyl p-hydroxybenzoate sodium salt
  • Ethyl 4-hydroxybenzoate sodium salt
  • 4-Hydroxybenzoic acid ethyl ester sodium salt
  • E 215
  • Sodium ethylparaben
  • Sodium ethyl parahydroxybenzoate
  • Ethyl paraben sodium salt

Work with Sodium ethyl 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

Propylparaben sodium35285-69-972 % similar Diethyl terephthalate636-09-970 % similar Sodium butylparaben36457-20-268 % similar Sodium methylparaben5026-62-063 % similar Ethyl 4-methylbenzoate94-08-660 % similar Ethyl benzoate93-89-059 % similar Ethylparaben120-47-858 % similar Ethyl 4-ethoxybenzoate23676-09-758 % similar

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

Elsewhere

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