4-Benzyl- 2-thiophenecarboxylic Acid - CAS 27921-49-9
Catalog: |
BB061712 |
Product Name: |
4-Benzyl- 2-thiophenecarboxylic Acid |
CAS: |
27921-49-9 |
Synonyms: |
4-benzylthiophene-2-carboxylic acid; 4-benzyl-2-thiophenecarboxylic acid; 4-Benzyl- 2-thiophenecarboxylic Acid |
IUPAC Name: | 4-benzylthiophene-2-carboxylic acid |
Molecular Weight: | 218.27 |
Molecular Formula: | C12H10O2S |
Canonical SMILES: | C1=CC=C(C=C1)CC2=CSC(=C2)C(=O)O |
InChI: | InChI=1S/C12H10O2S/c13-12(14)11-7-10(8-15-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14) |
InChI Key: | CVTUZGDJYOVVOT-UHFFFAOYSA-N |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.04015073 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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