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Home > Encyclopedia > Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate structure

Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate 

structure
  • CAS No:

    39562-17-9

  • Formula:

    C12H11NO5

  • Chemical Name:

    Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

  • Synonyms:

    Butanoic acid,2-[(3-nitrophenyl)methylene]-3-oxo-,methyl ester;Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate;Methyl 2-(3-nitrobenzylidene)acetoacetate;(3-Nitrobenzylidene)acetoacetic acid methyl ester;Methyl α-acetyl-β-(m-nitrophenyl)acrylate;Methyl 2-(m-nitrobenzylidene)acetoacetate;Methyl 3-nitrobenzylideneacetoacetate;2-(3-Nitrobenzylidene)acetoacetic acid methyl ester

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate Basic Attributes

249.22

249.22

405-270-7

2918300090

Characteristics

89.19000

2.26340

1.296

151-154 °C

387°C

172ºC

1.583

Safety Information

43-50/53

24-37-60-61

Xi,N

|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:249.22
XLogP3:1.8
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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