CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 138.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 218.10 g/mol |
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XLogP3 | 0 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Exact Mass | 217.99802494 g/mol |
Monoisotopic Mass | 217.99802494 g/mol |
Topological Polar Surface Area | 104 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 259 |
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-phosphonooxybenzoic acid is an aryl phosphate.