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5-Benzoylvaleric acid

5-Benzoylvaleric acid structure

5-Benzoylvaleric acid 

structure
  • CAS No:

    4144-62-1

  • Formula:

    C12H14O3

  • Chemical Name:

    5-Benzoylvaleric acid

  • Synonyms:

    Benzenehexanoic acid,ε-oxo-;Valeric acid,5-benzoyl-;ε-Oxobenzenehexanoic acid;5-Benzoylvaleric acid;δ-Benzoylvaleric acid;6-Oxo-6-phenylhexanoic acid;5-Benzoylpentanoic acid;NSC 11351

5-Benzoylvaleric acid Basic Attributes

206.24

206.24

1961325

11351

DTXSID40194356

Characteristics

54.4

2.51430

1.135 g/cm3

77-78 °C

78 °C

201ºC

1.533

Safety Information

NONH for all modes of transport

3

36/37/38

26-36

P305 + P351 + P338

H319

|Warning|H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:206.24
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:15
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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