| CAS Number | 126247-63-0 |
| Catalog Number | AG009FP2(AGN-PC-0O0RQZ) |
| Chemical Name | 3-(4-Hydroxyphenyl)pyrazin-2(1H)-one (Amoxicillin Impurity) |
| IUPAC Name | 3-(4-hydroxyphenyl)-1H-pyrazin-2-one |
| InChI | InChI=1S/C10H8N2O2/c13-8-3-1-7(2-4-8)9-10(14)12-6-5-11-9/h1-6,13H,(H,12,14) |
| InChI Key | KNKDJXWCPVPHPA-UHFFFAOYSA-N |
| MDL Number | MFCD24682762 |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.1827 |
| SMILES | O=C1C(C2=CC=C(O)C=C2)=NC=CN1 |
| UNII | 6PRR54P75N |
| Synonyms | 126247-63-0,
3-(4-Hydroxyphenyl)-2(1H)-pyrazinone,
3-(4-HYDROXYPHENYL)PYRAZIN-2-OL,
UNII-6PRR54P75N,
2(1H)-Pyrazinone, 3-(4-hydroxyphenyl)-,
6PRR54P75N,
Phenylpyrazinediol,
Amoxicillin related compound F,
Amoxicillin trihydrate impurity F [EP],
Amoxicillin Impurity F,
3-(4-Hydroxyphenyl)-pyrazin-2-ol,
STL454267,
ZINC65742990,
AKOS027422471,
FCH3682622,
2-hydroxy-3-(4-hydroxyphenyl)-pyrazine,
3-(4-Hydroxyphenyl)pyrazin-2(1H)-one,
ACM126247630,
FT-0670008,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.186g/mol |
| Monoisotopic Mass | 188.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number