9H-fluorene-3-carboxylic acid

• ChemBase ID: 251365
• Molecular Formular: C14H10O2
• Molecular Mass: 210.228
• Monoisotopic Mass: 210.06807956
• SMILES: c12c3c(Cc1ccc(c2)C(=O)O)cccc3
• Canonical SMILES: OC(=O)c1ccc2c(c1)c1ccccc1C2
• InChI: InChI=1S/C14H10O2/c15-14(16)11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2,(H,15,16)
• InChIKey: WYRSPZVTTMUNBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-3-carboxylic acid
• IUPAC Traditional name: 9H-fluorene-3-carboxylic acid
• Synonyms: 9H-fluorene-3-carboxylic acid

Database IDs

• CAS Number: 92151-76-3
• MDL Number: MFCD07687101
• PubChem SID: 164307275
• PubChem CID: 7131748

CALCULATED PROPERTIES

• Acid pKa: 4.1198773
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0018156
• LogD (pH = 7.4): 0.31026357
• Log P: 3.3966024
• Molar Refractivity: 62.1296 cm^3
• Polarizability: 24.662546 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 264 - 266°C
• Hydrophobicity(logP): 3.818

Product Information

• Purity: 95%