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Home > Encyclopedia > 2-PENTANOYLBENZOICACID

2-PENTANOYLBENZOICACID

2-PENTANOYLBENZOICACID structure

2-PENTANOYLBENZOICACID 

structure
  • CAS No:

    550-37-8

  • Formula:

    C12H14O3

  • Chemical Name:

    2-PENTANOYLBENZOICACID

  • Synonyms:

    LIGUSTICUMICACID;2-VALERYLBENZOICACID;O-VALERYLBENZOICACID;2-PENTANOYLBENZOICACID;2-(1-Oxopentyl)benzoicacid;2-ValerylbenzoicacidLigusticumicacido-Valerylbenzoicacid

2-PENTANOYLBENZOICACID Basic Attributes

206.23800

206.09400

DTXSID50415685

2918300090

Characteristics

54.37000

2.75770

1.126g/cm3

353.8ºC at 760mmHg

182ºC

1.536

Computed Properties

Molecular Weight:206.24
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:15
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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