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Home > Other Heterocycles > 369596-63-4
369596-63-4 | 3-Oxa-1-azabicyclo[3.2.0]heptane-2,4-dione
CAS No: 369596-63-4 Catalog No: AG007CS9 MDL No:
Product Description
Catalog Number:
AG007CS9
Chemical Name:
3-Oxa-1-azabicyclo[3.2.0]heptane-2,4-dione
CAS Number:
369596-63-4
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
IUPAC Name:
3-oxa-1-azabicyclo[3.2.0]heptane-2,4-dione
InChI:
InChI=1S/C5H5NO3/c7-4-3-1-2-6(3)5(8)9-4/h3H,1-2H2
InChI Key:
XPYOEDHOQKQPQE-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2N1CC2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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