| CAS Number | 66158-68-7 |
| Catalog Number | AG00FXE6(AGN-PC-0OFMFH) |
| Chemical Name | 1-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-ethanone |
| IUPAC Name | 1-[(2S)-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-/m0/s1 |
| InChI Key | VQNVOVAHJAHGQP-ZETCQYMHSA-N |
| MDL Number | MFCD11611307 |
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.1836 |
| SMILES | CC(=O)N1CCC[C@H]1CO |
| Synonyms | 1-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-ethanone,
66158-68-7,
acetylprolinol,
SCHEMBL12136795,
DTXSID70498490,
ZINC19781090,
AKOS006315787,
AJ-74899,
AM101105,
1-[(2S)-2-(Hydroxymethyl)pyrrolidin-1-yl]ethan-1-one,
(S)-1-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethanone, 95% - 1G 1g,
|
| 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