anthracene-9,10-dicarbaldehyde

• ChemBase ID: 59367
• Molecular Formular: C16H10O2
• Molecular Mass: 234.2494
• Monoisotopic Mass: 234.06807956
• SMILES: c1ccc2c(c1)c(c1c(c2C=O)cccc1)C=O
• Canonical SMILES: O=Cc1c2ccccc2c(c2c1cccc2)C=O
• InChI: InChI=1S/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H
• InChIKey: SBRUFOSORMQHES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: anthracene-9,10-dicarbaldehyde
• IUPAC Traditional name: anthracene-9,10-dialdehyde
• Synonyms: Anthracene-9,10-dicarbaldehyde

Database IDs

• CAS Number: 7044-91-9
• MDL Number: MFCD00045386
• PubChem SID: 162064130
• PubChem CID: 81500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.377204
• LogD (pH = 7.4): 3.377204
• Log P: 3.377204
• Molar Refractivity: 72.1264 cm^3
• Polarizability: 29.286503 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false