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114498-11-2 | 3-Oxabicyclo[3.1.0]hexan-2-one, 1-amino-
CAS No: 114498-11-2 Catalog No: AG000EK6 MDL No:MFCD24498005
Product Description
Catalog Number:
AG000EK6
Chemical Name:
3-Oxabicyclo[3.1.0]hexan-2-one, 1-amino-
CAS Number:
114498-11-2
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD24498005
IUPAC Name:
1-amino-3-oxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C5H7NO2/c6-5-1-3(5)2-8-4(5)7/h3H,1-2,6H2
InChI Key:
JMPBXIQWNZWJBY-UHFFFAOYSA-N
SMILES:
O=C1OCC2C1(N)C2
Properties
Complexity:
157
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:
52.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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