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CAS Number: 91970-49-9
4-(tert-butyl)-3-hydroxybenzoic acid

Structure

4-(tert-butyl)-3-hydroxybenzoic acid
Name: 4-(tert-butyl)-3-hydroxybenzoic acid
Synonyms:
General Information
Product Number: 91970499
CAS Registry Number: 91970-49-9
Name:
        Benzoic acid, 4-​(1,​1-​dimethylethyl)​-​3-​hydroxy-
        Benzoic acid, 4-​tert-​butyl-​3-​hydroxy- (6CI,​7CI); 4-​tert-​Butyl-​3-​hydroxybenzoic acid 
 
Chemical Formula: C11H14O3
Exact Mass: 194.09
Molecular Weight: 194.23
m/z: 194.09 (100.0%), 195.10 (12.2%), 196.10 (1.3%)
Elemental Analysis: C, 68.02; H, 7.27; O, 24.71
 
InChI: InChI=1S/C11H14O3/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6,12H,1-3H3,(H,13,14)
InChIKey: HBDXXQBDMCORFH-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)C1=C(C=C(C=C1)C(=O)O)O

Specification

98%

References

PCT Int. Appl. (2013), WO 2013067248 A1 20130510.                                  

PCT Int. Appl. (2011), WO 2011140425 A1 20111110.

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