3-(azocan-1-yl)propanoic acid

• ChemBase ID: 307569
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C(=O)(CCN1CCCCCCC1)O
• Canonical SMILES: OC(=O)CCN1CCCCCCC1
• InChI: InChI=1S/C10H19NO2/c12-10(13)6-9-11-7-4-2-1-3-5-8-11/h1-9H2,(H,12,13)
• InChIKey: ANCUAINHUHKZJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(azocan-1-yl)propanoic acid
• IUPAC Traditional name: 3-(azocan-1-yl)propanoic acid
• Synonyms: 3-azocan-1-ylpropanoic acid

Database IDs

• MDL Number: MFCD08691615

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0983381
• LogD (pH = 7.4): -1.0862793
• Log P: -1.0863549
• Molar Refractivity: 52.1161 cm^3
• Polarizability: 20.459267 Å^3
• Polar Surface Area: 40.54 Å^2