anisole tris(methanidylidyneoxidanium) chromium

• ChemBase ID: 137157
• Molecular Formular: C10H8CrO4
• Molecular Mass: 244.16422
• Monoisotopic Mass: 243.98276624
• SMILES: COc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
• Canonical SMILES: COc1ccccc1.[O+]#[C-].[O+]#[C-].[O+]#[C-].[Cr]
• InChI: InChI=1S/C7H8O.3CO.Cr/c1-8-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3
• InChIKey: UFRCESJPICEFIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: anisole tris(methanidylidyneoxidanium) chromium
• IUPAC Traditional name: anisole tris(carbon monoxide) chromium
• Synonyms: (Anisole)tricarbonylchromium(0); (苯甲醚)三羰基铬(0)

Database IDs

• CAS Number: 12116-44-8
• EC Number: 235-175-4
• MDL Number: MFCD00001665
• PubChem SID: 162231422
• PubChem CID: 6096975

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8155745
• LogD (pH = 7.4): 1.8155745
• Log P: 1.8155745
• Molar Refractivity: 32.5212 cm^3
• Polarizability: 12.858547 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84-85 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36

Product Information

• Purity: 99%
• Linear Formula: (C6H5OCH3)Cr(CO)3