Triethyl aconitate
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Triethyl aconitate
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CAS No:
5349-99-5
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Formula:
C12H18O6
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Chemical Name:
Triethyl aconitate
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Synonyms:
1-Propene-1,2,3-tricarboxylic acid,1,2,3-triethyl ester;1-Propene-1,2,3-tricarboxylic acid,triethyl ester;Aconitic acid,triethyl ester;Triethyl aconitate;Ethyl aconitate
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CAS No:
Safety Information
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:258.27
XLogP3:1.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:258.11033829
Monoisotopic Mass:258.11033829
Topological Polar Surface Area:78.9
Heavy Atom Count:18
Complexity:332
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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