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Home > Other Heterocycles > 31865-21-1
31865-21-1 | 1-(6-OXA-3-AZABICYCLO[3.1.0]HEXAN-3-YL)ETHAN-1-ONE
CAS No: 31865-21-1 Catalog No: AG01DZ9W MDL No:MFCD28132663
Product Description
Catalog Number:
AG01DZ9W
Chemical Name:
1-(6-OXA-3-AZABICYCLO[3.1.0]HEXAN-3-YL)ETHAN-1-ONE
CAS Number:
31865-21-1
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD28132663
IUPAC Name:
1-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
InChI:
InChI=1S/C6H9NO2/c1-4(8)7-2-5-6(3-7)9-5/h5-6H,2-3H2,1H3
InChI Key:
IKWPGVGGCWKMDB-UHFFFAOYSA-N
SMILES:
CC(=O)N1CC2C(C1)O2
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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