argentio 4-cyclohexylbutanoate

• ChemBase ID: 147371
• Molecular Formular: C10H17AgO2
• Molecular Mass: 277.10898
• Monoisotopic Mass: 276.02795178
• SMILES: C1CCC(CC1)CCCC(=O)O[Ag]
• Canonical SMILES: [Ag]OC(=O)CCCC1CCCCC1
• InChI: InChI=1S/C10H18O2.Ag/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+1/p-1
• InChIKey: CBBVZDBEHVFMHE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: argentio 4-cyclohexylbutanoate
• IUPAC Traditional name: argentio 4-cyclohexylbutanoate
• Synonyms: Silver cyclohexanebutyrate; 环己基丁酸银

Database IDs

• CAS Number: 62638-04-4
• EC Number: 263-667-9
• MDL Number: MFCD00036396
• PubChem SID: 162241559; 24853683
• PubChem CID: 4647400

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6558
• LogD (pH = 7.4): 2.6558
• Log P: 2.6558
• Molar Refractivity: 46.6954 cm^3
• Polarizability: 23.448961 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks
• Melting Point: 254 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Linear Formula: C6H11(CH2)3CO2Ag

DETAILS

Sigma Aldrich - 228346

Application
Silver standard salt for organic systems. Lot specific assay on label.
Packaging
1 g in glass bottle