42013-20-7
Product Name:
2-METHYLHIPPURIC ACID
Formula:
C10H11NO3
Synonyms:
N-(2-Methylbenzoyl)glycine;o-Toluric acid
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Solubility | >29 [ug/mL] (The mean of the results at pH 7.4) |
| Collision Cross Section | 156.6 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field] |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 193.20 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 193.07389321 g/mol |
| Monoisotopic Mass | 193.07389321 g/mol |
| Topological Polar Surface Area | 66.4 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 227 |
| 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
O-methylhippuric acid is an N-acylglycine that is the ortho-methyl derivative of hippuric acid. It has a role as a metabolite.