| CAS Number | 1622903-52-9 |
| Catalog Number | AG001SYX(AGN-PC-0WO711) |
| Chemical Name | 3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 1-formyl-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 1-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate |
| InChI | InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-5-8-4-11(8,6-12)7-13/h7-8H,4-6H2,1-3H3 |
| InChI Key | PUTOENHGHDTSSY-UHFFFAOYSA-N |
| MDL Number | MFCD24532440 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | C(=O)[C@@]12CN(C[C@H]2C1)C(=O)OC(C)(C)C |
| Synonyms | 1622903-52-9,
tert-butyl 1-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate,
SCHEMBL5328700,
KS-000008SE,
MFCD24532440,
AKOS024164818,
AS-53620,
3-Boc-1-formyl-3-azabicyclo[3.1.0]hexane,
CS-0048475,
t-Butyl 1-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate,
3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 1-formyl-, 1,1-dimethylethyl ester,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.261g/mol |
| Monoisotopic Mass | 211.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number