| CAS Number | 138506-45-3 |
| Catalog Number | AG009CPU(AGN-PC-0O1KP1) |
| Chemical Name | Pidobenzone |
| IUPAC Name | (4-hydroxyphenyl) (2S)-5-oxopyrrolidine-2-carboxylate |
| InChI | InChI=1S/C11H11NO4/c13-7-1-3-8(4-2-7)16-11(15)9-5-6-10(14)12-9/h1-4,9,13H,5-6H2,(H,12,14)/t9-/m0/s1 |
| InChI Key | SDJPNDMWNUPUFI-VIFPVBQESA-N |
| MDL Number | MFCD00867657 |
| Molecular Formula | C11H11NO4 |
| Molecular Weight | 221.2093 |
| SMILES | OC1=CC=C(OC([C@@H](N2)CCC2=O)=O)C=C1 |
| UNII | X7D2GSX1C1 |
| Synonyms | K5 lipogel,
pidobenzone,
Pidobenzone,
UNII-X7D2GSX1C1,
138506-45-3,
X7D2GSX1C1,
Pidobenzone [INN],
AC1MILW0,
SCHEMBL1231301,
CHEMBL2106955,
DTXSID20160695,
SDJPNDMWNUPUFI-VIFPVBQESA-N,
ZINC3787584,
5-Oxo-L-proline,p-hydroxyphenyl ester,
5-Oxo-L-proline, p-hydroxyphenyl ester,
4-HYDROXYPHENOL (L)-PYROGLUTAMATE,
(4-hydroxyphenyl) (2S)-5-oxopyrrolidine-2-carboxylate,
C11-H11-N-O4,
CID3047843,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.212g/mol |
| Monoisotopic Mass | 221.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number