5-Tert-butylisophthalic acid

• CAS: 2359-09-3
• Catalog Number: ACM-MO-2359093
• Category: Polymer/Macromolecule; Carboxylic Acid Monomers
• Molecular Weight: 222.24 g/mol
• Molecular Formula: C12H14O4
• Synonyms: 1,3-Benzenedicarboxylicacid,5-(1,1-dimethylethyl)-
• Canonical SMILES: CC(C)(C)c1cc(cc(c1)C(O)=O)C(O)=O
• InChI: 1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
• InChI Key: BJLUCDZIWWSFIB-UHFFFAOYSA-N
• Melting Point: >300 °C (lit.)
• Application: This product is suitable for scientific research.
• Assay: 98%
• EC Number: 219-100-2
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• MDL Number: MFCD00067047
• NACRES: NA.23
• Physical State: Solid
• PubChem ID: 24862316
• Quality Level: 100

Custom Q&A

What is the molecular formula of 5-tert-Butylisophthalic acid?

The molecular formula of 5-tert-Butylisophthalic acid is C12H14O4.

What is the molecular weight of 5-tert-Butylisophthalic acid?

The molecular weight of 5-tert-Butylisophthalic acid is 222.24 g/mol.

What is the IUPAC name of 5-tert-Butylisophthalic acid?

The IUPAC name of 5-tert-Butylisophthalic acid is 5-tert-butylbenzene-1,3-dicarboxylic acid.

What is the InChI of 5-tert-Butylisophthalic acid?

The InChI of 5-tert-Butylisophthalic acid is InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16).

What is the InChIKey of 5-tert-Butylisophthalic acid?

The InChIKey of 5-tert-Butylisophthalic acid is BJLUCDZIWWSFIB-UHFFFAOYSA-N.

What is the canonical SMILES of 5-tert-Butylisophthalic acid?

The canonical SMILES of 5-tert-Butylisophthalic acid is CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(=O)O.

What is the CAS number of 5-tert-Butylisophthalic acid?

The CAS number of 5-tert-Butylisophthalic acid is 2359-09-3.

What is the XLogP3-AA value of 5-tert-Butylisophthalic acid?

The XLogP3-AA value of 5-tert-Butylisophthalic acid is 2.6.

How many hydrogen bond donor counts does 5-tert-Butylisophthalic acid have?

5-tert-Butylisophthalic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5-tert-Butylisophthalic acid have?

5-tert-Butylisophthalic acid has 4 hydrogen bond acceptor counts.