Methyl 2-(2′-nitrobenzylidene)acetoacetate
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Methyl 2-(2′-nitrobenzylidene)acetoacetate
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CAS No:
39562-27-1
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Formula:
C12H11NO5
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Chemical Name:
Methyl 2-(2′-nitrobenzylidene)acetoacetate
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Synonyms:
Butanoic acid,2-[(2-nitrophenyl)methylene]-3-oxo-,methyl ester;Methyl 2-(2-nitrobenzylidene)acetoacetate;Methyl (o-nitrobenzylidene)acetoacetate;Methyl 2-(o-nitrobenzylidene)acetoacetate;Methyl 2-(2′-nitrobenzylidene)acetoacetate;2-(2-Nitrobenzylidene)-3-oxobutanoic acid methyl ester
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CAS No:
Safety Information
43-51/53
24-37-61
Xi,N
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:249.22
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:249.06372245
Monoisotopic Mass:249.06372245
Topological Polar Surface Area:89.2
Heavy Atom Count:18
Complexity:382
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl 2-(2′-nitrobenzylidene)acetoacetate
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