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Home > Encyclopedia > 2-Butylhexanoic acid

2-Butylhexanoic acid

2-Butylhexanoic acid structure

2-Butylhexanoic acid 

structure
  • CAS No:

    3115-28-4

  • Formula:

    C10H20O2

  • Chemical Name:

    2-Butylhexanoic acid

  • Synonyms:

    Hexanoic acid,2-butyl-;2-Butylhexanoic acid;Dibutylacetic acid;Acetic acid,dibutyl-;α-Butylcaproic acid;2-Butylcaproic acid;NSC 843

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-Butylhexanoic acid Basic Attributes

172.26500

172.26

843

2915900090

Characteristics

37.30000

3.06760

0.899 g/cm3 @ Temp: 16 °C

255 °C

142.3ºC

1.441

Drug Information

2,2-BBAA

Computed Properties

Molecular Weight:172.26
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:113
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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