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Home > Other Heterocycles > 81025-84-5
81025-84-5 | 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-ONE
CAS No: 81025-84-5 Catalog No: AG005HIK MDL No:MFCD22587751
Product Description
Catalog Number:
AG005HIK
Chemical Name:
2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-ONE
CAS Number:
81025-84-5
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD22587751
IUPAC Name:
2-oxa-5-azabicyclo[2.2.1]heptan-3-one
InChI:
InChI=1S/C5H7NO2/c7-5-4-1-3(8-5)2-6-4/h3-4,6H,1-2H2
InChI Key:
WAWSGFGXFSUXIA-UHFFFAOYSA-N
SMILES:
C1C2NCC1OC2=O
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:
3
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:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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