Methyl 5-(4-isopropylphenyl)-4-methylthiophene-2-carboxylate - CAS 1855889-97-2
Catalog: |
BB050698 |
Product Name: |
Methyl 5-(4-isopropylphenyl)-4-methylthiophene-2-carboxylate |
CAS: |
1855889-97-2 |
Synonyms: |
2-Thiophenecarboxylic acid, 4-methyl-5-[4-(1-methylethyl)phenyl]-, methyl ester; 5-(4-Isopropyl-phenyl)-4-methyl-thiophene-2-carboxylic acid methyl ester |
IUPAC Name: | methyl 4-methyl-5-(4-propan-2-ylphenyl)thiophene-2-carboxylate |
Molecular Weight: | 274.38 |
Molecular Formula: | C16H18O2S |
Canonical SMILES: | CC1=C(SC(=C1)C(=O)OC)C2=CC=C(C=C2)C(C)C |
InChI: | InChI=1S/C16H18O2S/c1-10(2)12-5-7-13(8-6-12)15-11(3)9-14(19-15)16(17)18-4/h5-10H,1-4H3 |
InChI Key: | CIYHCDFYVPVHJB-UHFFFAOYSA-N |
Boiling Point: | 378.0±42.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 308 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.10275099 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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