2-[(1-Oxopentyl)oxy]benzoic acid
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![2-[(1-Oxopentyl)oxy]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4705e389e7104562a9be3190c19fad26.png "2-[(1-Oxopentyl)oxy]benzoic acid")
2-[(1-Oxopentyl)oxy]benzoic acid
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CAS No:
64206-54-8
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Formula:
C12H14O4
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Chemical Name:
2-[(1-Oxopentyl)oxy]benzoic acid
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Synonyms:
Benzoic acid,2-[(1-oxopentyl)oxy]-;Salicylic acid,valerate;2-[(1-Oxopentyl)oxy]benzoic acid;2-Carboxyphenyl pentanoate;2-Valeryloxybenzoic acid;Valeroyl salicylate;Valeryl salicylate;2-(Pentanoyloxy)benzoic acid
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CAS No:
Description
Valerylsalicylic acid is a valerate ester that is salicylic acid in which the phenolic hydrogen is replaced by a valeryl (pentanoyl) group. It has a role as a cyclooxygenase 1 inhibitor. It is a member of benzoic acids, a valerate ester and a member of salicylates. It derives from a salicylic acid.
Computed Properties
Molecular Weight:222.24
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:16
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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