3-(2-Methoxyphenyl)thiophene-2-carboxylic acid - CAS 666841-74-3
Catalog: |
BB076118 |
Product Name: |
3-(2-Methoxyphenyl)thiophene-2-carboxylic acid |
CAS: |
666841-74-3 |
Synonyms: |
3-(2-Methoxyphenyl)thiophene-2-carboxylic acid; 3-(2-Methoxyphenyl)thiophene-2-carboxylicacid |
IUPAC Name: | 3-(2-methoxyphenyl)thiophene-2-carboxylic acid |
Description: | 3-(2-Methoxyphenyl)thiophene-2-carboxylic acid |
Molecular Weight: | 234.27 |
Molecular Formula: | C12H10O3S |
Canonical SMILES: | COC1=CC=CC=C1C2=C(SC=C2)C(=O)O |
InChI: | InChI=1S/C12H10O3S/c1-15-10-5-3-2-4-8(10)9-6-7-16-11(9)12(13)14/h2-7H,1H3,(H,13,14) |
InChI Key: | QBWDBOONGOMYNQ-UHFFFAOYSA-N |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.03506535 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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