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Home > Encyclopedia > 3-(2,4-dimethylphenyl)-3-oxopropanenitrile

3-(2,4-dimethylphenyl)-3-oxopropanenitrile

3-(2,4-dimethylphenyl)-3-oxopropanenitrile structure

3-(2,4-dimethylphenyl)-3-oxopropanenitrile 

structure
  • CAS No:

    53882-91-0

  • Formula:

    C11H11NO

  • Chemical Name:

    3-(2,4-dimethylphenyl)-3-oxopropanenitrile

  • Synonyms:

    2,4-DIMETHYLBENZOYLACETONITRILE;53882-91-0;3-(2,4-dimethylphenyl)-3-oxopropanenitrile;MFCD02260823;NSC145010;PubChem11989;Benzenepropanenitrile, 2,4-dimethyl-b-oxo-;SCHEMBL4850349;DTXSID20301627;ZINC1728148;BBL019823;STL253533;AKOS000171326;MCULE-4934041699;NSC-145010;2,4-Dimethyl-b-oxo-benzenepropanenitrile;SY196249;AB0049051;FT-0604183;H2777;3-(2,4-dimethyl-phenyl)-3-oxo-propionitrile;Benzenepropanenitrile, 2,4-dimethyl-beta-oxo-;EN300-85785

3-(2,4-dimethylphenyl)-3-oxopropanenitrile Basic Attributes

173.21 g/mol

173.084063974 g/mol

145010

DTXSID20301627

Characteristics

40.9 Ų

Safety Information

|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.

Computed Properties

Molecular Weight:173.21
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:173.084063974
Monoisotopic Mass:173.084063974
Topological Polar Surface Area:40.9
Heavy Atom Count:13
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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