Benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate - CAS 66207-08-7
Catalog: |
BB073628 |
Product Name: |
Benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate |
CAS: |
66207-08-7 |
Synonyms: |
Benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate; N-Cbz-7-oxa-3-azabicyclo[4.1.0]heptane; 1-CBZ-3,4-EPOXYPIPERIDINE; 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, phenylmethyl ester; N-Cbz-3,4-epoxypiperidine |
IUPAC Name: | benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate |
Description: | Benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate |
Molecular Weight: | 233.26 |
Molecular Formula: | C13H15NO3 |
Canonical SMILES: | C1CN(CC2C1O2)C(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C13H15NO3/c15-13(14-7-6-11-12(8-14)17-11)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2 |
InChI Key: | PHSSLYCBJRMEEV-UHFFFAOYSA-N |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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