530-75-6
Product Name:
ACETYLSALICYLSALICYLIC ACID
Formula:
C16H12O6
Synonyms:
2-[[2-(Acetyloxy)benzoyl]oxy]benzoic acid;2-Carboxyphenyl o-acetylsalicylate;Acetylsalicylsalicylic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 159.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 300.26 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 300.06338810 g/mol |
| Monoisotopic Mass | 300.06338810 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 432 |
| 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-[(2-acetyloxyphenyl)-oxomethoxy]benzoic acid is a carbonyl compound.