Pyraloxin - CAS 6151-21-9
Catalog: |
BB058029 |
Product Name: |
Pyraloxin |
CAS: |
6151-21-9 |
Synonyms: |
Pyrogallol Oxide;4- Cyclohexene- 1, 2, 3- trione |
IUPAC Name: | cyclohex-4-ene-1,2,3-trione |
Description: | Pyraloxin is a volatile compound that is formed in oil frying model oxidation. |
Molecular Weight: | 124.09 |
Molecular Formula: | C6H4O3 |
Canonical SMILES: | C1C=CC(=O)C(=O)C1=O |
InChI: | InChI=1S/C6H4O3/c7-4-2-1-3-5(8)6(4)9/h1-2H,3H2 |
InChI Key: | LTVBKIYITIZJSV-UHFFFAOYSA-N |
References: | Gasparoli, A., et al. Riv. Ital. delle Sostanze Grasse. 62, 91 (1985). |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.016043985 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.016043985 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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