328-42-7
Product Name:
Oxobutanedioic acid
Formula:
C4H4O5
Synonyms:
2-Oxosuccinic acid;Ketosuccinic acid;OAA;Oxalacetic acid;Oxobutanedioic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Off-white powder; [Alfa Aesar MSDS] |
|---|---|
| Melting Point | 161 °C |
| Solubility | 134 mg/mL |
| Collision Cross Section | 139.45 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 132.07 g/mol |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 132.00587322 g/mol |
| Monoisotopic Mass | 132.00587322 g/mol |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 158 |
| 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
Oxaloacetic acid is an oxodicarboxylic acid that is succinic acid bearing a single oxo group. It has a role as a metabolite and a geroprotector. It is an oxo dicarboxylic acid and a C4-dicarboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of an oxaloacetate(2-).