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64206-54-8

64206-54-8 structural image
Product Name: 2-VALERYLOXYBENZOIC ACID
Formula: C12H14O4
Synonyms: 2-Valeryloxybenzoic acid;Valerylsalicylic acid;vsa
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COMPUTED DESCRIPTORS

Molecular Weight 222.24 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 222.08920892 g/mol
Monoisotopic Mass 222.08920892 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 249
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

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 is functionally related to a salicylic acid.