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Home > Other Heterocycles > 956710-49-9
956710-49-9 | 7-OXA-3-AZABICYCLO[4.1.0]HEPTAN-2-ONE
CAS No: 956710-49-9 Catalog No: AG00H8LR MDL No:
Product Description
Catalog Number:
AG00H8LR
Chemical Name:
7-OXA-3-AZABICYCLO[4.1.0]HEPTAN-2-ONE
CAS Number:
956710-49-9
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
IUPAC Name:
7-oxa-3-azabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C5H7NO2/c7-5-4-3(8-4)1-2-6-5/h3-4H,1-2H2,(H,6,7)
InChI Key:
PHTVNQOAOFDDIK-UHFFFAOYSA-N
SMILES:
O=C1NCCC2C1O2
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| 3alpha,4alpha-Epoxy-2-piperidone, a new minor derivative from leaves of Piper crassinervium Kunth (Piperaceae). | Natural product research 20070801 |
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