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Home > Encyclopedia > Methyl 2-(2′-nitrobenzylidene)acetoacetate

Methyl 2-(2′-nitrobenzylidene)acetoacetate

Methyl 2-(2′-nitrobenzylidene)acetoacetate structure

Methyl 2-(2′-nitrobenzylidene)acetoacetate 

structure
  • CAS No:

    39562-27-1

  • Formula:

    C12H11NO5

  • Chemical Name:

    Methyl 2-(2′-nitrobenzylidene)acetoacetate

  • 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

Methyl 2-(2′-nitrobenzylidene)acetoacetate Basic Attributes

249.22

249.22

400-650-9

Characteristics

89.2 Ų

1.296±0.06 g/cm3

100-101 °C @ Solvent: Ethanol

395.9±32.0 °C(Predicted)

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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