3,3-Dimethyl-1-oxo-1,3-dihydro-isobenzofuran-5-carboxylic acid

Base Information

• Chemical Name: 3,3-Dimethyl-1-oxo-1,3-dihydro-isobenzofuran-5-carboxylic acid
• CAS No.: 168060-86-4
• Molecular Formula: C11H10O4
• Molecular Weight: 206.19500
• DSSTox Substance ID: DTXSID90601363
• Wikidata: Q82497976
• Mol file: 168060-86-4.mol

Synonyms:168060-86-4;3,3-Dimethyl-1-oxo-1,3-dihydroisobenzofuran-5-carboxylic acid;3,3-dimethyl-1-oxo-1,3-dihydro-isobenzofuran-5-carboxylic acid;SCHEMBL6103384;DTXSID90601363;YRNARWBKUQHZLY-UHFFFAOYSA-N;5-Isobenzofurancarboxylic acid, 1,3-dihydro-3,3-dimethyl-1-oxo-;3,3-Dimethyl-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid

Chemical Property of 3,3-Dimethyl-1-oxo-1,3-dihydro-isobenzofuran-5-carboxylic acid

Chemical Property:

• Melting Point: 264-266 °C
• Boiling Point: 436.3±45.0 °C(Predicted)
• PSA: 63.60000
• Density: 1.313±0.06 g/cm3(Predicted)
• LogP: 1.79030
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.05790880
• Heavy Atom Count: 15
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=C(C=CC(=C2)C(=O)O)C(=O)O1)C