64206-54-8
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.