4-(Thiophen-2-yl)benzoic acid - CAS 29886-62-2
Catalog: |
BB020366 |
Product Name: |
4-(Thiophen-2-yl)benzoic acid |
CAS: |
29886-62-2 |
Synonyms: |
4-thiophen-2-ylbenzoic acid |
IUPAC Name: | 4-thiophen-2-ylbenzoic acid |
Description: | 4-(Thiophen-2-yl)benzoic acid (CAS# 29886-62-2) is a reagent used in the solid-phase Suzuki coupling reactions and in the preparation of combinatorial libraries. |
Molecular Weight: | 204.25 |
Molecular Formula: | C11H8O2S |
Canonical SMILES: | C1=CSC(=C1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C11H8O2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13) |
InChI Key: | CVDUBQJEQNRCIZ-UHFFFAOYSA-N |
Boiling Point: | 372.8 °C at 760 mmHg |
Melting Point: | 240 °C |
Purity: | 95 % |
Density: | 1.303 g/cm3 |
MDL: | MFCD00690742 |
LogP: | 3.11330 |
GHS Hazard Statement: | H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112479921-A | Compound with PPAR delta agonist activity, pharmaceutical composition and medical application | 20201204 |
JP-WO2017073065-A1 | New anticancer drugs | 20151028 |
WO-2017073065-A1 | Novel anticancer drug | 20151028 |
JP-6777904-B2 | New anti-cancer drug | 20151028 |
CN-106795107-A | Sulfonate compound, light acid producing agent and photoetching resin combination | 20141107 |
PMID | Publication Date | Title | Journal |
22001086 | 20111201 | Synthesis and biological evaluation of salicylate-based compounds as a novel class of methionine aminopeptidase inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.02450067 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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