| CAS Number | 70767-64-5 |
| Catalog Number | AG00IL2E(AGN-PC-0WNGYG) |
| Chemical Name | 1-[(benzyloxy)carbonyl]-3-hydroxyazetidine-3-carboxylic acid |
| IUPAC Name | 3-hydroxy-1-phenylmethoxycarbonylazetidine-3-carboxylic acid |
| InChI | InChI=1S/C12H13NO5/c14-10(15)12(17)7-13(8-12)11(16)18-6-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,14,15) |
| InChI Key | BXAHDWSCWXHUOI-UHFFFAOYSA-N |
| MDL Number | MFCD30471611 |
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.2353 |
| SMILES | C(C1=CC=CC=C1)OC(=O)N1CC(C1)(C(=O)O)O |
| Synonyms | 70767-64-5,
1-[(Benzyloxy)carbonyl]-3-hydroxyazetidine-3-carboxylic acid,
1-((Benzyloxy)carbonyl)-3-hydroxyazetidine-3-carboxylic acid,
SCHEMBL10197546,
BXAHDWSCWXHUOI-UHFFFAOYSA-N,
MFCD30471611,
ZINC60048274,
KS-000006F3,
AS-52950,
CS-0052710,
1-benzyloxycarbonyl-3-hydroxyazetidine-3-carboxylic acid,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.238g/mol |
| Monoisotopic Mass | 251.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number