| CAS Number | 1421313-57-6 |
| Catalog Number | AG01BUPQ |
| Chemical Name | 1-Ethylazetidine-2-carboxylic acid |
| IUPAC Name | 1-ethylazetidine-2-carboxylic acid |
| InChI | InChI=1S/C6H11NO2/c1-2-7-4-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9) |
| InChI Key | WSXZOQFRPRFFSL-UHFFFAOYSA-N |
| MDL Number | MFCD24500377 |
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.1570 |
| SMILES | CCN1C(C(O)=O)CC1 |
| Synonyms | 1-ethylazetidine-2-carboxylic acid,
(S)-1-Ethylazetidine-2-carboxylic acid,
1421313-57-6,
SCHEMBL12337430,
AKOS016344771,
BB 0262934,
255882-96-3,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.159g/mol |
| Monoisotopic Mass | 129.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number