3-(4-Methyl benzoyl)acrylic acid - CAS 20972-36-5
Catalog: |
BB016474 |
Product Name: |
3-(4-Methyl benzoyl)acrylic acid |
CAS: |
20972-36-5 |
Synonyms: |
(E)-4-(4-methylphenyl)-4-oxobut-2-enoic acid |
IUPAC Name: | (E)-4-(4-methylphenyl)-4-oxobut-2-enoic acid |
Description: | 3-(4-Methyl benzoyl)acrylic acid (CAS# 20972-36-5) is a useful research chemical. |
Molecular Weight: | 190.20 |
Molecular Formula: | C11H10O3 |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)C=CC(=O)O |
InChI: | InChI=1S/C11H10O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+ |
InChI Key: | VNJMEFZKYZHWEO-VOTSOKGWSA-N |
Boiling Point: | 361.8 °C at 760 mmHg |
Density: | 1.2 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00075338 |
LogP: | 1.81850 |
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 |
CN-112142731-A | 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof | 20190628 |
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 |
US-10858318-B2 | Born-based cycloaddition catalysts and methods for the production of bio-based terephthalic acid, isophthalic acid and poly (ethylene terephthalate) | 20150924 |
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: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 190.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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