chempirical

Propylparaben sodium

C10H11NaO3CAS 35285-69-9202.18 g/mol

Open in Covalent MOL file
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

Identifiers

CAS number
35285-69-9
SMILES
CCCOC(=O)c1ccc([O-])cc1.[Na+]
InChIKey
WXSLOYPZKHFWII-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3.Na/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h3-6,11H,2,7H2,1H3;

Weigh it out

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

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

Similar compounds

Sodium butylparaben36457-20-283 % similar Sodium ethyl P-hydroxybenzoate35285-68-872 % similar Propyl benzoate2315-68-661 % similar Risocaine94-12-261 % similar Propylparaben94-13-361 % similar Sodium methylparaben5026-62-059 % similar Dipropyl isocinchomeronate136-45-852 % similar Dipropyl phthalate131-16-850 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook