4-(2,5-dimethylphenyl)-4-oxobut-2-enoic acid
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4-(2,5-dimethylphenyl)-4-oxobut-2-enoic acid
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CAS No:
15254-22-5
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Formula:
C12H12O3
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Chemical Name:
4-(2,5-dimethylphenyl)-4-oxobut-2-enoic acid
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Synonyms:
4-(2,5-dimethylphenyl)-4-oxobut-2-enoic acid;15254-22-5;DTXSID20318376;AKOS017509208;MCULE-8762872566
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CAS No:
4-(2,5-dimethylphenyl)-4-oxobut-2-enoic acid Basic Attributes
204.22 g/mol
204.078644241 g/mol
DTXSID20318376
Safety Information
|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:204.22
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:204.078644241
Monoisotopic Mass:204.078644241
Topological Polar Surface Area:54.4
Heavy Atom Count:15
Complexity:281
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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