4-Ethoxycarbonylthiolan-3-one
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4-Ethoxycarbonylthiolan-3-one
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CAS No:
78647-31-1
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Formula:
C7H10O3S
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Chemical Name:
4-Ethoxycarbonylthiolan-3-one
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Synonyms:
4-Ethoxycarbonylthiolan-3-one;NSC 215273;Tetrahydro-4-oxo-3-thiophenecarboxylic acid ethyl ester;Ethyl 4-oxotetrahydrothiophene-3-carboxylate
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:174.22
XLogP3:0.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:174.03506535
Monoisotopic Mass:174.03506535
Topological Polar Surface Area:68.7
Heavy Atom Count:11
Complexity:179
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes