65-86-1
Product Name:
Orotic acid
Formula:
C5H4N2O4
Synonyms:
2,6-Dihydroxypyrimidine-4-carboxylic acid;6-Carboxy-2,4-dihydroxypyrimidine;6-Carboxyuracil;Uracil-6-carboxylic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Orotic acid appears as white crystals or crystalline powder. (NTP, 1992) |
|---|---|
| Color/Form | Crystals |
| Melting Point | 653 to 655 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| LogP | -0.83 |
| LogS | -1.93 |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Dissociation Constants | pKa1 = 2.07; pKa2 = 9.45 |
| Collision Cross Section | 138.85 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Chemical Classes | Other Classes -> Polyoxyethylenes |
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 |
P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 | 156.10 g/mol |
|---|---|
| XLogP3 | -1.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 156.01710661 g/mol |
| Monoisotopic Mass | 156.01710661 g/mol |
| Topological Polar Surface Area | 95.5 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 268 |
| 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
Orotic acid appears as white crystals or crystalline powder. (NTP, 1992)