(3-Benzoyl-2-methoxyphenyl)acetonitrile

Base Information

• Chemical Name: (3-Benzoyl-2-methoxyphenyl)acetonitrile
• CAS No.: 22071-33-6
• Molecular Formula: C16H13 N O2
• Molecular Weight: 251.27992
• European Community (EC) Number: 244-764-5
• DSSTox Substance ID: DTXSID90176566
• Nikkaji Number: J285.428G
• Wikidata: Q83046882
• Mol file: 22071-33-6.mol

Synonyms:22071-33-6;(3-Benzoyl-2-methoxyphenyl)acetonitrile;EINECS 244-764-5;2-[3-(benzoyl)-2-methoxyphenyl]acetonitrile;SCHEMBL9427493;DTXSID90176566;3-Benzoyl-2-methoxybenzeneacetonitrile

Chemical Property of (3-Benzoyl-2-methoxyphenyl)acetonitrile

Chemical Property:

• Vapor Pressure: 9.02E-09mmHg at 25°C
• Boiling Point: 463.5°Cat760mmHg
• Flash Point: 201.9°C
• PSA: 50.09000
• Density: 1.153g/cm³
• LogP: 2.99228
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 251.094628657
• Heavy Atom Count: 19
• Complexity: 351

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC=C1C(=O)C2=CC=CC=C2)CC#N

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