| CAS Number | 362704-72-1 |
| Catalog Number | AG00D5FQ(AGN-PC-0WCKET) |
| Chemical Name | benzyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate |
| IUPAC Name | benzyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate |
| InChI | InChI=1S/C14H15NO4/c1-18-13(16)7-12-8-15(9-12)14(17)19-10-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3 |
| InChI Key | RADJACRBEVKPOT-UHFFFAOYSA-N |
| MDL Number | MFCD17677520 |
| Molecular Formula | C14H15NO4 |
| Molecular Weight | 261.2732 |
| SMILES | COC(/C=C1CN(C(OCC2=CC=CC=C2)=O)C1)=O |
| Synonyms | benzyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate,
362704-72-1,
1-Cbz-3-methoxycarbonylmethylene-azetidine,
CTK8E2384,
DTXSID30718782,
MFCD17677520,
ZINC44682126,
AKOS015836893,
FCH2793073,
QC-7413,
SB11528,
KS-000004F4,
ACM362704721,
AK165356,
AM100723,
AS-33978,
TC-072554,
CS-0049856,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.277g/mol |
| Monoisotopic Mass | 261.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^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
Lot Number