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Home > Other Heterocycles > 166756-12-3
166756-12-3 | 2-oxa-5-azabicyclo[4.1.0]heptane
CAS No: 166756-12-3 Catalog No: AG001WY0 MDL No:MFCD17480503
Product Description
Catalog Number:
AG001WY0
Chemical Name:
2-oxa-5-azabicyclo[4.1.0]heptane
CAS Number:
166756-12-3
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD17480503
IUPAC Name:
2-oxa-5-azabicyclo[4.1.0]heptane
InChI:
InChI=1S/C5H9NO/c1-2-7-5-3-4(5)6-1/h4-6H,1-3H2
InChI Key:
TWWBQCNHUYGMJP-UHFFFAOYSA-N
SMILES:
C1COC2C(N1)C2
Properties
Complexity:
84.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Stereoselective cyclopropanation of serine- and threonine-derived oxazines to access new morpholine-based scaffolds. | Organic & biomolecular chemistry 20080921 |
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