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2-Phenoxybutanoic acid

2-Phenoxybutanoic acid structure

2-Phenoxybutanoic acid 

structure
  • CAS No:

    13794-14-4

  • Formula:

    C10H12O3

  • Chemical Name:

    2-Phenoxybutanoic acid

  • Synonyms:

    Butanoic acid,2-phenoxy-;Butyric acid,2-phenoxy-;Butyric acid,α-phenoxy-;2-Phenoxybutanoic acid;α-Phenoxybutyric acid;2-Phenoxybutyric acid;DL-2-Phenoxybutyric acid;10488-45-6

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-Phenoxybutanoic acid Basic Attributes

180.20 g/mol

180.20

237-449-9

Characteristics

46.5 Ų

98 °C

258 °C

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:180.20
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:162
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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