sodium undec-10-enoate

• ChemBase ID: 105736
• Molecular Formular: C11H19NaO2
• Molecular Mass: 206.25713
• Monoisotopic Mass: 206.12827413
• SMILES: [Na+].[O-]C(=O)CCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCC(=O)[O-].[Na+]
• InChI: InChI=1S/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1
• InChIKey: DKYPZNSPQXLRRQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium undec-10-enoate
• IUPAC Traditional name: potassium undec-10-enoate
• Synonyms: 10-Undecenoic Acid; UNDECYLENIC ACID SODIUM SALT

Database IDs

• CAS Number: 3398-33-2
• EC Number: 222-264-8
• PubChem SID: 162093114
• PubChem CID: 23667258

CALCULATED PROPERTIES

• Acid pKa: 5.0211167
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1267557
• LogD (pH = 7.4): 1.3787246
• Log P: 3.7297513
• Molar Refractivity: 64.9598 cm^3
• Polarizability: 21.147709 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C, Desiccate, Protect from light

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02193892

Sodium Salt
Purity: 98%