Benzoic acid, 4-(benzoyloxy)-, phenylmethyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(benzoyloxy)-, phenylmethyl ester
• CAS No.: 96682-10-9
• Molecular Formula: C21H16 O4
• Molecular Weight: 332.34934
• European Community (EC) Number: 416-680-0
• UNII: AIK54GD6I2
• DSSTox Substance ID: DTXSID0072982
• Wikidata: Q27273941
• Mol file: 96682-10-9.mol

Synonyms:Benzoic acid, 4-(benzoyloxy)-, phenylmethyl ester;benzyl benzoyloxybenzoate;Benzyl 4-benzoyloxybenzoate;96682-10-9;UNII-AIK54GD6I2;AIK54GD6I2;FIXATEUR BBB;SCHEMBL8198304;DTXSID0072982;STL478600;BENZYL 4-(BENZOYLOXY)BENZOATE;AKOS002258959;benzyl 4-[(phenylcarbonyl)oxy]benzoate;BENZYL BENZOYLOXYBENZOATE [INCI];Q27273941

Chemical Property of Benzoic acid, 4-(benzoyloxy)-, phenylmethyl ester

Chemical Property:

• PSA: 52.60000
• LogP: 4.26280
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 332.10485899
• Heavy Atom Count: 25
• Complexity: 427

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3