CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 150 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
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COMPUTED DESCRIPTORS
Molecular Weight | 238.19 g/mol |
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XLogP3 | 0.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Exact Mass | 238.04773803 g/mol |
Monoisotopic Mass | 238.04773803 g/mol |
Topological Polar Surface Area | 89.9 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 324 |
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
2,3-diacetyloxybenzoic acid is a carboxylic ester, a member of salicylates and a member of benzoic acids.