ethyl 2-[(9Z)-9H-fluoren-9-ylidene]acetate

• ChemBase ID: 295530
• Molecular Formular: C17H14O2
• Molecular Mass: 250.29186
• Monoisotopic Mass: 250.09937969
• SMILES: O=C(OCC)/C=C/1\c2ccccc2c2c1cccc2
• Canonical SMILES: CCOC(=O)/C=C/1\c2ccccc2c2c1cccc2
• InChI: InChI=1S/C17H14O2/c1-2-19-17(18)11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,2H2,1H3
• InChIKey: SCHVJDVNASXDFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(9Z)-9H-fluoren-9-ylidene]acetate
• IUPAC Traditional name: ethyl 2-[(9Z)-fluoren-9-ylidene]acetate
• Synonyms: Ethyl 9-fluorenylideneacetate; Dibenzofulvene-1-carboxylic acid ethyl ester; 9-Fluorenylideneacetic acid ethyl ester; 9-亚芴基乙酸乙酯

Database IDs

• CAS Number: 27973-36-0
• MDL Number: MFCD00798562
• PubChem SID: 180681061
• PubChem CID: 282552

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9792998
• LogD (pH = 7.4): 3.9792998
• Log P: 3.9792998
• Molar Refractivity: 85.2085 cm^3
• Polarizability: 30.418072 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-77°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%