| CAS Number | 1025029-60-0 |
| Catalog Number | AG0007LX(AGN-PC-0WCKXG) |
| Chemical Name | 1-BOC-3-(3-ETHOXY-3-OXOPROPANOYL)AZETIDINE |
| IUPAC Name | tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate |
| InChI | InChI=1S/C13H21NO5/c1-5-18-11(16)6-10(15)9-7-14(8-9)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3 |
| InChI Key | CVLHLSSKQJCGIY-UHFFFAOYSA-N |
| MDL Number | MFCD11974391 |
| Molecular Formula | C13H21NO5 |
| Molecular Weight | 271.3095 |
| SMILES | O=C(C1CN(C(OC(C)(C)C)=O)C1)CC(OCC)=O |
| Synonyms | 1025029-60-0,
1-Boc-3-(3-ethoxy-3-oxopropanoyl)azetidine,
tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate,
SCHEMBL8208172,
CVLHLSSKQJCGIY-UHFFFAOYSA-N,
BETA-OXO-1-BOC-3-AZETIDINEPROPANOIC ACID ETHYL ESTER,
KS-000007IX,
MFCD11974391,
ZINC95707540,
AKOS025402751,
PB19220,
CS-0037562,
Q-3036,
ethyl 3-oxo-3-(N-tert-butoxycarbonyl-azetidin-3-yl)propanoate,
3-Azetidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-beta-oxo-, ethyl ester,
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| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.313g/mol |
| Monoisotopic Mass | 271.142g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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