5-tert-Butylisophthalic acid
CAS Registry Number®
2359-09-3
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CAS Name
5-tert-Butylisophthalic acidMolecular Formula
C12H14O4Molecular Mass
222.24Cite this Page
5-tert-Butylisophthalic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2359-09-3 (retrieved ) (CAS RN: 2359-09-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
343 °C
Source(s)
Other Names and Identifiers
InChI
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)
InChIKey
InChIKey=BJLUCDZIWWSFIB-UHFFFAOYSA-N
SMILES
C(C)(C)(C)C1=CC(C(O)=O)=CC(C(O)=O)=C1
Canonical SMILES
O=C(O)C=1C=C(C=C(C1)C(C)(C)C)C(=O)O
Other Names for this Substance
- 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-
- Isophthalic acid, 5-tert-butyl-
- 5-(1,1-Dimethylethyl)-1,3-benzenedicarboxylic acid
- 5-tert-Butylisophthalic acid
- 5-tert-Butyl-1,3-benzenedicarboxylic acid
Deleted or Replaced CAS Registry Numbers
339064-16-3
