| CAS Number | 207989-87-5 |
| Catalog Number | AG01BI41(AGN-PC-0NG5LW) |
| Chemical Name | 5-(4-Hydroxyphenyl)pyrrolidin-2-one |
| IUPAC Name | 5-(4-hydroxyphenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H11NO2/c12-8-3-1-7(2-4-8)9-5-6-10(13)11-9/h1-4,9,12H,5-6H2,(H,11,13) |
| InChI Key | BVEBXSJCBLQXPZ-UHFFFAOYSA-N |
| MDL Number | MFCD15527562 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | OC1=CC=C(C2NC(=O)CC2)C=C1 |
| Synonyms | 5-(4-hydroxyphenyl)pyrrolidin-2-one,
207989-87-5,
5-(4-hydroxyphenyl)-2-Pyrrolidinone,
SCHEMBL3497573,
BVEBXSJCBLQXPZ-UHFFFAOYSA-N,
MFCD15527559,
gamma-4-hydroxyphenyl-gamma-butyrolactam,
AK503581,
DA-08357,
DS-19050,
FT-0758162,
CID11116595,
128100-35-6,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number