trans-3-(4-Methoxybenzoyl)acrylic acid - CAS 5711-41-1
Catalog: |
BB029584 |
Product Name: |
trans-3-(4-Methoxybenzoyl)acrylic acid |
CAS: |
5711-41-1 |
Synonyms: |
(E)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid |
IUPAC Name: | (E)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid |
Description: | trans-3-(4-Methoxybenzoyl)acrylic acid (CAS# 5711-41-1) is a useful research chemical. |
Molecular Weight: | 206.19 |
Molecular Formula: | C11H10O4 |
Canonical SMILES: | COC1=CC=C(C=C1)C(=O)C=CC(=O)O |
InChI: | InChI=1S/C11H10O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+ |
InChI Key: | WORYXBDHTBWLLL-VOTSOKGWSA-N |
Boiling Point: | 389.3 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00020486 |
LogP: | 1.51870 |
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-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
US-2021213713-A1 | Method of making an antimicrobial multilayer film | 20180525 |
CN-106860441-B | Application of 4-oxo-2-butenamide derivative in preparation of bacteriostatic agent | 20170210 |
EP-3233944-A1 | Particles for electrophoretic displays | 20141219 |
EP-3233944-B1 | Particles for electrophoretic displays | 20141219 |
PMID | Publication Date | Title | Journal |
21570747 | 20110801 | Antiproliferative activity of aroylacrylic acids. Structure-activity study based on molecular interaction fields | European journal of medicinal chemistry |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 206.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.05790880 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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