9H-fluorene-2-carboxylic acid

• ChemBase ID: 256761
• Molecular Formular: C14H10O2
• Molecular Mass: 210.228
• Monoisotopic Mass: 210.06807956
• SMILES: c12c(c3c(C1)cccc3)ccc(C(=O)O)c2
• Canonical SMILES: OC(=O)c1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C14H10O2/c15-14(16)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H,15,16)
• InChIKey: IBIDFEWDKNJSRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-2-carboxylic acid
• IUPAC Traditional name: 9H-fluorene-2-carboxylic acid
• Synonyms: 9H-fluorene-2-carboxylic acid

Database IDs

• CAS Number: 7507-40-6
• MDL Number: MFCD00034611
• PubChem SID: 164312671
• PubChem CID: 348591

CALCULATED PROPERTIES

• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 4.0564976
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9412819
• LogD (pH = 7.4): 0.27082914
• Log P: 3.3966024
• Molar Refractivity: 62.1296 cm^3
• Polarizability: 24.663218 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.818

Product Information

• Purity: 95%