| CAS Number | 1247812-12-9 |
| Catalog Number | AG01DYKJ |
| Chemical Name | Methyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate |
| IUPAC Name | methyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C7H13NO3/c1-11-7(10)8-3-2-6(4-8)5-9/h6,9H,2-5H2,1H3 |
| InChI Key | DNFNIHHMOVZOCZ-UHFFFAOYSA-N |
| MDL Number | MFCD16714544 |
| Molecular Formula | C7H13NO3 |
| Molecular Weight | 159.183 |
| SMILES | COC(N1CC(CO)CC1)=O |
| Synonyms | methyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate,
1247812-12-9,
CHEBI:70835,
AKOS011659265,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.185g/mol |
| Monoisotopic Mass | 159.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number