| CAS Number | 444815-09-2 |
| Catalog Number | AG01BF77(AGN-PC-0WOQLX) |
| Chemical Name | 1-[3-(Hydroxymethyl)phenyl]pyrrolidin-2-one |
| IUPAC Name | 1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one |
| InChI | InChI=1S/C11H13NO2/c13-8-9-3-1-4-10(7-9)12-6-2-5-11(12)14/h1,3-4,7,13H,2,5-6,8H2 |
| InChI Key | YJBPQVLWWIKHMW-UHFFFAOYSA-N |
| MDL Number | MFCD26905238 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | OCC1=CC(N2C(=O)CCC2)=CC=C1 |
| Synonyms | 1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one,
444815-09-2,
SCHEMBL5604853,
YJBPQVLWWIKHMW-UHFFFAOYSA-N,
ZINC98096578,
AKOS026741153,
NE43125,
N-(3-Hydroxymethylphenyl)-2-pyrrolidinone,
1-[3-(Hydroxymethyl)phenyl]pyrrolidine-2-one,
Z1888396952,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number