4-Formylcinnamic acid, predominantly trans - CAS 23359-08-2
Catalog: |
BB018019 |
Product Name: |
4-Formylcinnamic acid, predominantly trans |
CAS: |
23359-08-2 |
Synonyms: |
(E)-3-(4-formylphenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(4-formylphenyl)prop-2-enoic acid |
Description: | 4-Formylcinnamic acid, predominantly trans (CAS# 23359-08-2) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C10H8O3 |
Canonical SMILES: | C1=CC(=CC=C1C=CC(=O)O)C=O |
InChI: | InChI=1S/C10H8O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-7H,(H,12,13)/b6-5+ |
InChI Key: | LBOUHDMYVURTMA-AATRIKPKSA-N |
Boiling Point: | 373.2 °C at 760 mmHg |
Melting Point: | 250-255 °C (dec.) |
Purity: | 95 % |
Density: | 1.288 g/cm3 |
Appearance: | White crystalline powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006955 |
LogP: | 1.59690 |
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 |
CN-111018735-A | Preparation method of cinnamamide | 20191205 |
CN-111018735-B | Preparation method of cinnamamide compound | 20191205 |
WO-2020252075-A1 | Ligand-exchangeable janus nanoparticles and methods of making the same | 20190614 |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
WO-2020117976-A1 | Carborane-based histone deacetylase (hdac) inhibitors | 20181204 |
PMID | Publication Date | Title | Journal |
12555852 | 20030101 | First investigations of the kinetics of the topochemical reaction of p-formyl-trans-cinnamic acid by time-resolved X-ray diffraction | Faraday discussions |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 176.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.047344113 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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