2051-95-8
Product Name:
3-BENZOYLPROPIONIC ACID
Formula:
C10H10O3
Synonyms:
3-Benzoylpropionic acid;4-Oxo-4-phenylbutyric acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Light brown crystalline solid; [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 0.0000973 [mmHg] |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
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 | 178.18 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 178.062994177 g/mol |
| Monoisotopic Mass | 178.062994177 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 192 |
| 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
4-oxo-4-phenylbutyric acid is a 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4. It has a role as a hapten. It is functionally related to a butyric acid.