| CAS Number | 123958-87-2 |
| Catalog Number | AG01C3BF(AGN-PC-0WA2I5) |
| Chemical Name | 1-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one |
| IUPAC Name | 1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone |
| InChI | InChI=1S/C7H13NO2/c1-6(10)8-4-2-3-7(8)5-9/h7,9H,2-5H2,1H3/t7-/m1/s1 |
| InChI Key | VQNVOVAHJAHGQP-SSDOTTSWSA-N |
| MDL Number | MFCD19690737 |
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.1836 |
| SMILES | CC(N1[C@@H](CO)CCC1)=O |
| Synonyms | 123958-87-2,
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one,
SCHEMBL12136792,
ZINC31870182,
AKOS017523578,
AJ-84423,
(R)-1-ACETYL-2-PYRROLIDINEMETHANOL,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.186g/mol |
| Monoisotopic Mass | 143.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number