| CAS Number | 1860033-50-6 |
| Catalog Number | AG00IL4B(AGN-PC-0WG3GY) |
| Chemical Name | (S)-3,3-Dimethylazetidine-2-carboxylic acid |
| IUPAC Name | 3,3-dimethylazetidine-2-carboxylic acid |
| InChI | InChI=1S/C6H11NO2/c1-6(2)3-7-4(6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9) |
| InChI Key | AWQHNYKQPOONLR-UHFFFAOYSA-N |
| MDL Number | MFCD30146439 |
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.1570 |
| SMILES | CC1([C@H](NC1)C(=O)O)C |
| Synonyms | 3,3-Dimethylazetidine-2-carboxylic acid,
(S)-3,3-Dimethylazetidine-2-carboxylic acid,
(2R)-3,3-dimethylazetidine-2-carboxylic acid,
1860033-50-6,
204848-23-7,
2165961-80-6,
(2S)-3,3-dimethylazetidine-2-carboxylic acid,
AKOS006378012,
N/A,
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| Complexity | 142 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.159g/mol |
| Monoisotopic Mass | 129.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number