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Home > Encyclopedia > 3-methylbutyl 4-cyanobenzoate

3-methylbutyl 4-cyanobenzoate

3-methylbutyl 4-cyanobenzoate structure

3-methylbutyl 4-cyanobenzoate 

structure
  • CAS No:

    54210-47-8

  • Formula:

    C13H15NO2

  • Chemical Name:

    3-methylbutyl 4-cyanobenzoate

  • Synonyms:

    3-methylbutyl 4-cyanobenzoate;54210-47-8;Isopentyl 4-cyanobenzoate #;DTXSID20338771;4-Cyanobenzoic acid, 3-methylbutyl ester

3-methylbutyl 4-cyanobenzoate Basic Attributes

217.26 g/mol

217.110278721 g/mol

DTXSID20338771

Characteristics

50.1 Ų

Computed Properties

Molecular Weight:217.26
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:217.110278721
Monoisotopic Mass:217.110278721
Topological Polar Surface Area:50.1
Heavy Atom Count:16
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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