5-Phenyl-2,4-pentadienoic acid
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5-Phenyl-2,4-pentadienoic acid
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CAS No:
1552-94-9
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Formula:
C11H10O2
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Chemical Name:
5-Phenyl-2,4-pentadienoic acid
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Synonyms:
2,4-Pentadienoic acid,5-phenyl-;5-Phenyl-2,4-pentadienoic acid;Cinnamalacetic acid;β-Styrylacrylic acid;Cinnamylideneacetic acid;NSC 109408;NSC 1778;NSC 63972;BL 1255;1-Carboxy-4-phenyl-1,3-butadiene;1-Carobxy-4-phenyl-1,3-butadiene
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CAS No:
Description
Cinnamylideneacetic acid is a photoresponsive compound which is capable of a photoinduced [2+2] cycloaddition[1].
5-phenylpenta-2,4-dienoic acid is a member of styrenes.
5-Phenyl-2,4-pentadienoic acid Basic Attributes
174.2
174.20
216-298-2
50789|1778
DTXSID2061771
2916399090
Safety Information
R36/37/38
S26-S36
P264, P270, P301+P312, P330, P501
H302
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.
5-Phenyl-2,4-pentadienoic acid Use and Manufacturing
General procedure: The synthesis of the title compounds (Scheme 1) follows a Knoevenangel condensation of the suitable heteroarylaldehyde (0.01 mol) with malonic acid (0.01 mol) dissolved in 1.12 mL of pyridine and piperidine (0.01 mol). The mixture was refluxed until the emission of CO
2,4-Pentadienoic acid, 5-phenyl-: INACTIVE
Computed Properties
Molecular Weight:174.20
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:174.068079557
Monoisotopic Mass:174.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:210
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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