| CAS Number | 1398705-01-5 |
| Catalog Number | AG01DI4J(AGN-PC-0J1Z2T) |
| Chemical Name | tert-Butyl 3-(hydroxy(phenyl)methyl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-[hydroxy(phenyl)methyl]azetidine-1-carboxylate |
| InChI | InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-9-12(10-16)13(17)11-7-5-4-6-8-11/h4-8,12-13,17H,9-10H2,1-3H3 |
| InChI Key | SOIKBSUWZYFZLP-UHFFFAOYSA-N |
| MDL Number | MFCD30472018 |
| Molecular Formula | C15H21NO3 |
| Molecular Weight | 263.3321 |
| SMILES | CC(OC(N1CC(C(C2=CC=CC=C2)O)C1)=O)(C)C |
| Synonyms | tert-Butyl 3-(hydroxy(phenyl)methyl)azetidine-1-carboxylate,
1398705-01-5,
MFCD30472018,
CS-0039460,
t-Butyl 3-(hydroxy(phenyl)methyl)azetidine-1-carboxylate,
N/A,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.337g/mol |
| Monoisotopic Mass | 263.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number