3,4,5-Trimethoxycinnamic acid - CAS 90-50-6
Catalog: |
BB039873 |
Product Name: |
3,4,5-Trimethoxycinnamic acid |
CAS: |
90-50-6 |
Synonyms: |
O-Methylsinapic acid; 3,4,5-TRIMETHOXYCINNAMIC ACID |
Application: |
4-Cyanophenyl cyclobutyl ketone (CAS# 898790-50-6) is a useful research chemical compound. |
IUPAC Name: | (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid |
Description: | 3,4,5-Trimethoxycinnamic acid is found in the heartwoods of Cassia garrettiana, it has anti-stress effect, prolonging the sleeping time in animals. |
Molecular Weight: | 238.24 |
Molecular Formula: | C12H14O5 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)C=CC(=O)O |
InChI: | InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+ |
InChI Key: | YTFVRYKNXDADBI-SNAWJCMRSA-N |
Boiling Point: | 396.4 °C at 760 mmHg |
Melting Point: | 126-128°C |
Flash Point: | 151.5°C |
Purity: | > 95 % |
Density: | 1.209 g/cm3 |
Appearance: | White cryst. |
MDL: | MFCD00004388 |
LogP: | 1.81020 |
GHS Hazard Statement: | H317 (92.96%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
21740104 | 20120201 | Chemical constituents of Polygala tenuifolia roots and their inhibitory activity on lipopolysaccharide-induced nitric oxide production in BV2 microglia | Journal of enzyme inhibition and medicinal chemistry |
21881266 | 20110101 | A new hypoxia inducible factor-2 inhibitory pyrrolinone alkaloid from roots and stems of Piper sarmentosum | Chemical & pharmaceutical bulletin |
19555163 | 20100201 | Design, synthesis, and biological evaluation of 3,4,5-trimethoxyphenyl acrylamides as antinarcotic agents | Journal of enzyme inhibition and medicinal chemistry |
20120110 | 20091201 | Magnoflorine and phenolic derivatives from the leaves of Croton xalapensis L. (Euphorbiaceae) | Natural product communications |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 238.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.08412354 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 65 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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