9-ethynyl-9H-fluoren-9-ol

• ChemBase ID: 106838
• Molecular Formular: C15H10O
• Molecular Mass: 206.2393
• Monoisotopic Mass: 206.07316494
• SMILES: OC1(C#C)c2ccccc2c2ccccc12
• Canonical SMILES: C#CC1(O)c2ccccc2c2c1cccc2
• InChI: InChI=1S/C15H10O/c1-2-15(16)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h1,3-10,16H
• InChIKey: MMZVVJGCZZAWBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethynyl-9H-fluoren-9-ol
• IUPAC Traditional name: 9-ethynylfluoren-9-ol
• Synonyms: 9-ETHYNYL-9-FLUORENOL; 9-Ethynyl-9-fluorenol; 9-乙炔基-9-芴醇

Database IDs

• CAS Number: 13461-74-0
• MDL Number: MFCD00041555
• Beilstein Number: 2104685
• PubChem SID: 162089093
• PubChem CID: 518771

CALCULATED PROPERTIES

• Acid pKa: 12.033614
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6772478
• LogD (pH = 7.4): 2.6772377
• Log P: 2.677248
• Molar Refractivity: 63.9057 cm^3
• Polarizability: 25.687935 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109-110°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05201609

MP Biomedicals Rare Chemical collection