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CAS Number: 60772-81-8
3-(tert-butyl)-2-methoxybenzoic acid

Structure

3-(tert-butyl)-2-methoxybenzoic acid
Name: 3-(tert-butyl)-2-methoxybenzoic acid
Synonyms:
General Information
Product Number: 60772818
CAS Registry Number: 60772-81-8
Name:
        Benzoic acid, 3-​(1,​1-​dimethylethyl)​-​2-​methoxy-
        3-​tert-​Butyl-​2-​methoxybenzoic acid 
 
Chemical Formula: C12H16O3
Exact Mass: 208.11
Molecular Weight: 208.25
m/z: 208.11 (100.0%), 209.11 (13.1%)
Elemental Analysis: C, 69.21; H, 7.74; O, 23.05
 
InChI: InChI=1S/C12H16O3/c1-12(2,3)9-7-5-6-8(11(13)14)10(9)15-4/h5-7H,1-4H3,(H,13,14)
InChIKey: OYIWOKUBVZPUOS-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)C1=CC=CC(=C1OC)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 167-169 °C   (1)CAS

Specification

98%

References
  1. (1) Dean, Melissa A.; Tetrahedron: Asymmetry 2010, V21(20), P2471-2478 CAPLUS
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