5-Methoxy-3-(thiophen-3-yl)benzoic acid - CAS 1261969-21-4
Catalog: |
BB060015 |
Product Name: |
5-Methoxy-3-(thiophen-3-yl)benzoic acid |
CAS: |
1261969-21-4 |
Synonyms: |
3-Methoxy-5-(thiophen-3-yl)benzoic acid; 5-METHOXY-3-(THIOPHEN-3-YL)BENZOIC ACID; 3-methoxy-5-thiophen-3-ylbenzoic acid; 3-Methoxy-5-(thiophen-3-yl)benzoicacid |
IUPAC Name: | 3-methoxy-5-thiophen-3-ylbenzoic acid |
Description: | 5-Methoxy-3-(thiophen-3-yl)benzoic acid |
Molecular Weight: | 234.27 |
Molecular Formula: | C12H10O3S |
Canonical SMILES: | COC1=CC(=CC(=C1)C(=O)O)C2=CSC=C2 |
InChI: | InChI=1S/C12H10O3S/c1-15-11-5-9(8-2-3-16-7-8)4-10(6-11)12(13)14/h2-7H,1H3,(H,13,14) |
InChI Key: | CZLWEVLOUKCJJZ-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: | 2.7 |
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