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Home > Encyclopedia > pentan-2-yl 2-cyanoacetate

pentan-2-yl 2-cyanoacetate

pentan-2-yl 2-cyanoacetate structure

pentan-2-yl 2-cyanoacetate 

structure
  • CAS No:

    52688-04-7

  • Formula:

    C8H13NO2

  • Chemical Name:

    pentan-2-yl 2-cyanoacetate

  • Synonyms:

    Acetic acid, cyano-, 1-methylbutyl ester;pentan-2-yl 2-cyanoacetate;52688-04-7;Pentan-2-yl cyanoacetate;SCHEMBL20298469;DTXSID40967123

pentan-2-yl 2-cyanoacetate Basic Attributes

155.19 g/mol

155.094628657 g/mol

Characteristics

50.1 Ų

Computed Properties

Molecular Weight:155.19
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:155.094628657
Monoisotopic Mass:155.094628657
Topological Polar Surface Area:50.1
Heavy Atom Count:11
Complexity:168
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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