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Home > Other Heterocycles > 174-78-7
174-78-7 | 2-Oxa-6-azaspiro[3.3]heptane
CAS No: 174-78-7 Catalog No: AG001ZDD MDL No:MFCD12407093
Product Description
Catalog Number:
AG001ZDD
Chemical Name:
2-Oxa-6-azaspiro[3.3]heptane
CAS Number:
174-78-7
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD12407093
IUPAC Name:
2-oxa-6-azaspiro[3.3]heptane
InChI:
InChI=1S/C5H9NO/c1-5(2-6-1)3-7-4-5/h6H,1-4H2
InChI Key:
HPJALMWOZYIZGE-UHFFFAOYSA-N
SMILES:
N1CC2(C1)COC2
Properties
Complexity:
82.1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| 4-(2-Oxa-6-aza-spiro-[3.3]hept-6-yl)-benzo-nitrile. | Acta crystallographica. Section E, Structure reports online 20100501 |
| Oxetanes in drug discovery: structural and synthetic insights. | Journal of medicinal chemistry 20100422 |
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