(4aR,7aS)-tert-butyl tetrahydro-2H-[1,4]dioxino[2,3-c]pyrrole-6(3H)-carboxylate - CAS 694439-03-7
Catalog: |
BB054052 |
Product Name: |
(4aR,7aS)-tert-butyl tetrahydro-2H-[1,4]dioxino[2,3-c]pyrrole-6(3H)-carboxylate |
CAS: |
694439-03-7 |
Synonyms: |
tert-butyl (4aR,7aS)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole-6-carboxylate |
IUPAC Name: | tert-butyl (4aR,7aS)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole-6-carboxylate |
Molecular Weight: | 229.27 |
Molecular Formula: | C11H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2C(C1)OCCO2 |
InChI: | InChI=1S/C11H19NO4/c1-11(2,3)16-10(13)12-6-8-9(7-12)15-5-4-14-8/h8-9H,4-7H2,1-3H3/t8-,9+ |
InChI Key: | YTGMDYKVUYMIQK-DTORHVGOSA-N |
Purity: | 95% |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.13140809 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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