4-(Trifluoromethoxy)cinnamic Acid - CAS 783-13-1
Catalog: |
BB036149 |
Product Name: |
4-(Trifluoromethoxy)cinnamic Acid |
CAS: |
783-13-1 |
Synonyms: |
(E)-3-[4-(trifluoromethoxy)phenyl]-2-propenoic acid; (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid |
IUPAC Name: | (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid |
Description: | 4-(Trifluoromethoxy)cinnamic Acid (CAS# 783-13-1) is a useful research chemical. |
Molecular Weight: | 232.16 |
Molecular Formula: | C10H7F3O3 |
Canonical SMILES: | C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F |
InChI: | InChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+ |
InChI Key: | RNYVTJANWYBGPW-ZZXKWVIFSA-N |
Boiling Point: | 296.6 °C at 760 mmHg |
Density: | 1.403 g/cm3 |
Appearance: | Off white solid |
MDL: | MFCD00066338 |
LogP: | 2.68300 |
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 |
US-10590119-B2 | Furoxans as therapies for neurodegenerative disorders | 20161115 |
US-2019308959-A1 | Furoxans as therapies for neurodegenerative disorders | 20161115 |
US-2020172526-A1 | Furoxans as therapies for neurodegenerative disorders | 20161115 |
WO-2018093762-A1 | Furoxans as therapies for neurodegenerative disorders | 20161115 |
US-10913732-B2 | Furoxans as therapies for neurodegenerative disorders | 20161115 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 232.03472857 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.03472857 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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