non-2-yn-1-ol

• ChemBase ID: 110932
• Molecular Formular: C9H16O
• Molecular Mass: 140.22274
• Monoisotopic Mass: 140.12011513
• SMILES: CCCCCCC#CCO
• Canonical SMILES: CCCCCCC#CCO
• InChI: InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-6,9H2,1H3
• InChIKey: XERDOEKKHDALKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-2-yn-1-ol
• IUPAC Traditional name: non-2-yn-1-ol
• Synonyms: 2-Nonyn-1-ol; 2-NONYN-1-OL; 2-壬烯-1-醇

Database IDs

• CAS Number: 5921-73-3
• EC Number: 227-646-8
• MDL Number: MFCD00041566
• Beilstein Number: 1745753
• PubChem SID: 162096582
• PubChem CID: 80017

CALCULATED PROPERTIES

• Acid pKa: 13.552815
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7687793
• LogD (pH = 7.4): 2.768779
• Log P: 2.7687793
• Molar Refractivity: 44.3473 cm^3
• Polarizability: 16.833944 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 109-111°C/11mm
• Density: 0.873
• Refractive Index: 1.4560

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%

DETAILS

MP Biomedicals - 05217064

MP Biomedicals Rare Chemical collection