9H-fluoren-9-ylmethyl N-(2-oxoethyl)carbamate

• ChemBase ID: 293865
• Molecular Formular: C17H15NO3
• Molecular Mass: 281.3059
• Monoisotopic Mass: 281.10519335
• SMILES: O=C(OCC1c2c(c3c1cccc3)cccc2)NCC=O
• Canonical SMILES: O=CCNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C17H15NO3/c19-10-9-18-17(20)21-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,10,16H,9,11H2,(H,18,20)
• InChIKey: DBTMQODRSDEGRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-(2-oxoethyl)carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-(2-oxoethyl)carbamate
• Synonyms: (9H-Fluoren-9-yl)methyl 2-oxoethylcarbamate

Database IDs

• CAS Number: 156939-62-7
• MDL Number: MFCD11519176
• PubChem SID: 180679396
• PubChem CID: 10858926

CALCULATED PROPERTIES

• Acid pKa: 13.967836
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3179367
• LogD (pH = 7.4): 2.3179364
• Log P: 2.3179367
• Molar Refractivity: 79.1578 cm^3
• Polarizability: 31.724356 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%