trans-α-Phenylcinnamic acid - CAS 91-48-5
Catalog: |
BB040213 |
Product Name: |
trans-α-Phenylcinnamic acid |
CAS: |
91-48-5 |
Synonyms: |
(αE)-α-(Phenylmethylene)benzeneacetic acid; Acrylic acid, 2,3-diphenyl-, (E)-; Acrylic acid, 2,3-diphenyl-, trans-; Benzeneacetic acid, α-(phenylmethylene)-, (E)-; (E)-2,3-Diphenyl-2-propenoic acid; (E)-2,3-Diphenylacrylic acid; (E)-2,3-Diphenylacrylic acid; (E)-2,3-Diphenylpropenoic acid; (E)-α-(Phenylmethylene)benzeneacetic acid; (E)-α-Phenylcinnamic acid; (E)-α-Stilbenecarboxylic acid; trans-2,3-Diphenyl-2-propenoic acid; trans-2,3-Diphenylacrylic acid; trans-2,3-Diphenylpropenoic acid |
Related CAS: | 15352-96-2 (monosodium salt) 3368-16-9 (rac-isomer) 91-47-4 (Z-isomer) 2699-90-3 (Deleted CAS)
|
IUPAC Name: | (E)-2,3-diphenylprop-2-enoic acid |
Molecular Weight: | 224.25 |
Molecular Formula: | C15H12O2 |
Canonical SMILES: | C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+ |
InChI Key: | BIDDLDNGQCUOJQ-SDNWHVSQSA-N |
Boiling Point: | 336.6±11.0°C at 760 mmHg |
Melting Point: | 170°C |
Density: | 1.198±0.06 g/cm3 |
MDL: | MFCD00004252 |
LogP: | 3.31180 |
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 |
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PMID | Publication Date | Title | Journal |
15063344 | 20040425 | Rapid determination of the active leflunomide metabolite A77 1726 in human plasma by high-performance liquid chromatography | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 224.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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