3-(1-Oxo-2-phenylethyl)benzoic acid

Base Information

• Chemical Name: 3-(1-Oxo-2-phenylethyl)benzoic acid
• CAS No.: 423151-69-3
• Molecular Formula: C₁₅H₁₂O₃
• Molecular Weight: 240.258
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID60402081
• Wikidata: Q82205441
• ChEMBL ID: CHEMBL1325983
• Mol file: 423151-69-3.mol

Synonyms:3-(1-OXO-2-PHENYLETHYL)BENZOIC ACID;423151-69-3;3-(2-phenylacetyl)benzoic acid;SMR000104562;MLS000108609;MFCD01003946;CBMicro_035192;Oprea1_505009;CHEMBL1325983;BDBM59753;cid_4339188;DTXSID60402081;3-(2-phenylethanoyl)benzoic acid;HMS2164L24;HMS3310A03;AKOS016022797;BIM-0035157.P001;3-(1-OXO-2-PHENYLETHYL)BENZOICACID;SR-01000221823;SR-01000221823-1

Chemical Property of 3-(1-Oxo-2-phenylethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 7.25E-09mmHg at 25°C
• Boiling Point: 449.5°C at 760 mmHg
• Flash Point: 239.8°C
• PSA: 54.37000
• Density: 1.237g/cm³
• LogP: 2.81020
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 305

Purity/Quality:

97% ^*data from raw suppliers

3-(1-Oxo-2-phenylethyl)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)C2=CC(=CC=C2)C(=O)O