Methyl 3-acetylbenzoate

Base Information

• Chemical Name: Methyl 3-acetylbenzoate
• CAS No.: 915402-27-6
• Molecular Formula: C8H7N3O
• Molecular Weight: 161.16
• European Community (EC) Number: 691-803-0
• DSSTox Substance ID: DTXSID10919674
• Nikkaji Number: J141.641C
• Wikidata: Q72466046
• Mol file: 915402-27-6.mol

Synonyms:methyl 3-acetylbenzoate;21860-07-1;3-Acetylbenzoic acid methyl ester;3-Acetyl-benzoic acid methyl ester;methyl3-acetylbenzoate;MFCD09475799;Benzoic acid, 3-acetyl-, methyl ester;methyl-3-acetylbenzoate;SCHEMBL70071;Methyl 3-acetylbenzenecarboxylate;DTXSID10919674;WAA86007;AKOS006329592;PS-5047;SY015219;CS-0044352;J-014318;3-(Methoxycarbonyl)acetophenone, 1-[3-(methoxycarbonyl)phenyl]ethan-1-one

Chemical Property of Methyl 3-acetylbenzoate

Chemical Property:

• PKA: 11.15±0.70(Predicted)
• Density: 1.279
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

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

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