Propylparaben sodium

C10H11NaO3CAS 35285-69-9202.18 g/mol

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OOO−Na+
EsterPhenol

Properties

Molecular formula
C10H11NaO3
Molar mass
202.18 g/mol
Exact mass
202.0606 Da
logP
1.58Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
35285-69-9
SMILES
CCCOC(=O)c1ccc([O-])cc1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

9 names
  • Benzoic acid, 4-hydroxy-, propyl ester, sodium salt (1:1)
  • Benzoic acid, 4-hydroxy-, propyl ester, sodium salt
  • Sodium propyl p-hydroxybenzoate
  • Nipasol M sodium
  • Propyl p-hydroxybenzoate sodium salt
  • Propyl 4-hydroxybenzoate sodium salt
  • Sodium propyl paraben
  • Sodium propyl 4-hydroxybenzoate
  • Sodium 4-propoxycarbonylphenoxide

Work with Propylparaben sodium

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Propylparaben94-13-3Free acid

Similar compounds

Sodium butylparaben36457-20-283 % similar Sodium ethyl p-hydroxybenzoate35285-68-872 % similar Propyl benzoate2315-68-661 % similar Risocaine94-12-261 % similar Sodium methylparaben5026-62-059 % similar [4-(Propoxycarbonyl)phenyl]boronic acid91062-38-356 % similar Dipropyl isocinchomeronate136-45-852 % similar Dipropyl phthalate131-16-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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