| CAS Number | 1822844-61-0 |
| Catalog Number | AG00I16S(AGN-PC-0WR9ZE) |
| Chemical Name | benzyl 2-(hydroxymethyl)azetidine-1-carboxylate |
| IUPAC Name | benzyl 2-(hydroxymethyl)azetidine-1-carboxylate |
| InChI | InChI=1S/C12H15NO3/c14-8-11-6-7-13(11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2 |
| InChI Key | SPFQXCNTSZHKDM-UHFFFAOYSA-N |
| MDL Number | MFCD29081221 |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.2524 |
| SMILES | OCC1N(C(OCC2=CC=CC=C2)=O)CC1 |
| Synonyms | benzyl 2-(hydroxymethyl)azetidine-1-carboxylate,
1822844-61-0,
SCHEMBL4186357,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.256g/mol |
| Monoisotopic Mass | 221.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number