trans-3-(4-Chlorobenzoyl)acrylic acid - CAS 29582-39-6
Catalog: |
BB020244 |
Product Name: |
trans-3-(4-Chlorobenzoyl)acrylic acid |
CAS: |
29582-39-6 |
Synonyms: |
(E)-4-(4-chlorophenyl)-4-oxobut-2-enoic acid |
IUPAC Name: | (E)-4-(4-chlorophenyl)-4-oxobut-2-enoic acid |
Description: | trans-3-(4-Chlorobenzoyl)acrylic acid (CAS# 29582-39-6 ) is a useful research chemical. |
Molecular Weight: | 210.61 |
Molecular Formula: | C10H7ClO3 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)C=CC(=O)O)Cl |
InChI: | InChI=1S/C10H7ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6H,(H,13,14)/b6-5+ |
InChI Key: | VQVQEUFKSRHRCT-AATRIKPKSA-N |
Boiling Point: | 379.5 °C at 760 mmHg |
Density: | 1.366 g/cm3 |
MDL: | MFCD00041465 |
LogP: | 2.16350 |
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-2021213713-A1 | Method of making an antimicrobial multilayer film | 20180525 |
EP-2308847-A1 | Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases | 20091009 |
EP-2308847-B1 | Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases | 20091009 |
EP-2226116-A2 | Drying substances, preparation and use thereof | 20090303 |
EP-2226116-B1 | Drying tube, preparation and use thereof | 20090303 |
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: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 210.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0083718 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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