11H-benzo[a]fluoren-11-one

• ChemBase ID: 156254
• Molecular Formular: C17H10O
• Molecular Mass: 230.2607
• Monoisotopic Mass: 230.07316494
• SMILES: c1ccc2c(c1)ccc1c2C(=O)c2c1cccc2
• Canonical SMILES: O=C1c2ccccc2c2c1c1ccccc1cc2
• InChI: InChI=1S/C17H10O/c18-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)17/h1-10H
• InChIKey: RNICURKFVSAHLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11H-benzo[a]fluoren-11-one
• IUPAC Traditional name: benzo[a]fluoren-11-one
• Synonyms: Benzo[a]fluorenone; 苯并[a]芴酮

Database IDs

• CAS Number: 479-79-8
• MDL Number: MFCD00215959
• Beilstein Number: 1960212
• PubChem SID: 24892226; 162250392
• PubChem CID: 10184

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.096055
• LogD (pH = 7.4): 4.096055
• Log P: 4.096055
• Molar Refractivity: 72.1619 cm^3
• Polarizability: 30.38818 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Grade: BCR® certified Reference Material
• Empirical Formula (Hill Notation): C17H10O

DETAILS

Sigma Aldrich - BCR342

Legal Information
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