5-(4-Tert-butylphenyl)-4-methylthiophene-2-carboxylic acid - CAS 861432-72-6
Catalog: |
BB049910 |
Product Name: |
5-(4-Tert-butylphenyl)-4-methylthiophene-2-carboxylic acid |
CAS: |
861432-72-6 |
Synonyms: |
5-(4-(tert-butyl)phenyl)-4-methylthiophene-2-carboxylic acid; 5-(4-tert-Butyl-phenyl)-4-methyl-thiophene-2-carboxylic acid; 5-[4-(tert-butyl)phenyl]-4-methylthiophene-2-carboxylic acid |
IUPAC Name: | 5-(4-tert-butylphenyl)-4-methylthiophene-2-carboxylic acid |
Description: | 5-(4-Tert-butylphenyl)-4-methylthiophene-2-carboxylic acid (CAS# 861432-72-6 ) is a useful research chemical. |
Molecular Weight: | 274.4 |
Molecular Formula: | C16H18O2S |
Canonical SMILES: | CC1=C(SC(=C1)C(=O)O)C2=CC=C(C=C2)C(C)(C)C |
InChI: | InChI=1S/C16H18O2S/c1-10-9-13(15(17)18)19-14(10)11-5-7-12(8-6-11)16(2,3)4/h5-9H,1-4H3,(H,17,18) |
InChI Key: | PPOWKZVFZODKAT-UHFFFAOYSA-N |
Boiling Point: | 398.1±30.0 ℃ (Predicted) |
Purity: | 95 % |
Density: | 1.144±0.06 g/cm3(Predicted) |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.10275099 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.10275099 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.2 |
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