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Structure

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

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Specification

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
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.

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