4-(1-Oxo-2,3-dihydroinden-5-YL)benzoic acid

Base Information

• Chemical Name: 4-(1-Oxo-2,3-dihydroinden-5-YL)benzoic acid
• CAS No.: 199678-08-5
• Molecular Formula: C16H12O3
• Molecular Weight: 252.26
• DSSTox Substance ID: DTXSID40699073
• Mol file: 199678-08-5.mol

Synonyms:199678-08-5;4-(1-OXO-2,3-DIHYDROINDEN-5-YL)BENZOIC ACID;4-(1-Oxo-2,3-dihydro-1H-inden-5-yl)benzoic acid;SCHEMBL4424918;DTXSID40699073;Benzoic acid, 4-(2,3-dihydro-1-oxo-1H-inden-5-yl)-

Chemical Property of 4-(1-Oxo-2,3-dihydroinden-5-YL)benzoic acid

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)O

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