Butanoic acid, 2-(hydroxyimino)-3-oxo-, ethyl ester
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Butanoic acid, 2-(hydroxyimino)-3-oxo-, ethyl ester
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CAS No:
5408-04-8
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Formula:
C6H9NO4
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Chemical Name:
Butanoic acid, 2-(hydroxyimino)-3-oxo-, ethyl ester
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Synonyms:
Butanoic acid,2-(hydroxyimino)-3-oxo-,ethyl ester;Butyric acid,2,3-dioxo-,ethyl ester,2-oxime;Butyric acid,α,β-dioxo-,ethyl ester α-oxime;Ethyl α-isonitrosoacetoacetate;Ethyl 2-(hydroxyimino)acetoacetate;Ethyl 2-oximinoacetoacetate;Ethyl α-(hydroxyimino)acetoacetate;2-(Hydroxyimino)-3-oxobutyric acid ethyl ester;Ethyl α-oximinoacetoacetate;Ethyl 2-(hydroxyimino)-3-ketobutyrate;Ethyl 2-(hydroxyimino)-3-oxobutanoate;2-Hydroxyimino-3-oxobutanoic acid ethyl ester;NSC 10758
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CAS No:
Butanoic acid, 2-(hydroxyimino)-3-oxo-, ethyl ester Basic Attributes
159.14
159.14
611-092-2
2928000090
Safety Information
IRRITANT
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Butanoic acid, 2-(hydroxyimino)-3-oxo-, ethyl ester Use and Manufacturing
It is prepared by the reaction of ethyl acetoacetate and sodium nitrite under acidic conditions.
The intermediate of cimetidine.
Computed Properties
Molecular Weight:159.14
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:159.05315777
Monoisotopic Mass:159.05315777
Topological Polar Surface Area:76
Heavy Atom Count:11
Complexity:197
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Butanoic acid, 2-(hydroxyimino)-3-oxo-, ethyl ester
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