trans-3-(3-Thienyl)acrylic acid - CAS 102696-71-9
Catalog: |
BB000919 |
Product Name: |
trans-3-(3-Thienyl)acrylic acid |
CAS: |
102696-71-9 |
Synonyms: |
(E)-3-thiophen-3-ylprop-2-enoic acid |
IUPAC Name: | (E)-3-thiophen-3-ylprop-2-enoic acid |
Description: | 3-(3-Thienyl)acrylic Acid can be used as antitumor agents. |
Molecular Weight: | 154.19 |
Molecular Formula: | C7H6O2S |
Canonical SMILES: | C1=CSC=C1C=CC(=O)O |
InChI: | InChI=1S/C7H6O2S/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/b2-1+ |
InChI Key: | VYRYYUKILKRGDN-OWOJBTEDSA-N |
Boiling Point: | 298.9 °C at 760 mmHg |
Melting Point: | 152-154 °C |
Purity: | 95 % |
Density: | 1.346 g/cm3 |
Appearance: | White to tan powder |
MDL: | MFCD00014535 |
LogP: | 1.84590 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021029395-A1 | Compound, polymer, composition, composition for film formation, pattern forming method, method for forming insulating film, method for producing compound, iodine-containing vinyl polymer and method for producing acetylated derivative of same | 20190809 |
CN-110437758-A | A kind of anti-highly basic high temperature resistant easy-stripping type PO base protective film pressure-sensitive adhesive formula and preparation method thereof | 20190711 |
WO-2020252075-A1 | Ligand-exchangeable janus nanoparticles and methods of making the same | 20190614 |
EP-3725763-A1 | Myocardial regeneration promoting compounds, preparation method thereof, pharmaceutical composition, and their use | 20190417 |
US-2020317602-A1 | Myocardial regeneration promoting compounds, preparation method thereof, pharmaceutical composition, and their use | 20190408 |
PMID | Publication Date | Title | Journal |
22065617 | 20111001 | 4,4'-Bipyridine-3-(thio-phen-3-yl)acrylic acid (1/2) | Acta crystallographica. Section E, Structure reports online |
17655003 | 20070601 | Electrochemical investigations of 3-(3-thienyl) acrylic acid protected nanoclusters and planar gold surfaces | Journal of nanoscience and nanotechnology |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 154.00885060 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.00885060 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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