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Home > Encyclopedia > 1-Methylethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

1-Methylethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

1-Methylethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate structure

1-Methylethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate 

structure
  • CAS No:

    39562-25-9

  • Formula:

    C14H15NO5

  • Chemical Name:

    1-Methylethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

  • Synonyms:

    Butanoic acid,2-[(3-nitrophenyl)methylene]-3-oxo-,1-methylethyl ester;1-Methylethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate;Isopropyl 2-(3-nitrobenzylidene)acetoacetate;Isopropyl 2-(m-nitrobenzylidene)acetoacetate

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

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

277.27

277.27

1312995-182-4

2918300090

Characteristics

89.2

2.46

1.2±0.1 g/cm3

94 °C

404.9±35.0 °C at 760 mmHg

167.3±27.9 °C

1.565

Computed Properties

Molecular Weight:277.27
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:277.09502258
Monoisotopic Mass:277.09502258
Topological Polar Surface Area:89.2
Heavy Atom Count:20
Complexity:422
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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