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115344-44-0 | 3,5-Isoxazolidinedione
CAS No: 115344-44-0 Catalog No: AG000GMC MDL No:
Product Description
Catalog Number:
AG000GMC
Chemical Name:
3,5-Isoxazolidinedione
CAS Number:
115344-44-0
Molecular Formula:
C3H3NO3
Molecular Weight:
101.0608
IUPAC Name:
1,2-oxazolidine-3,5-dione
InChI:
InChI=1S/C3H3NO3/c5-2-1-3(6)7-4-2/h1H2,(H,4,5)
InChI Key:
PAHVTLRWCQYFEB-UHFFFAOYSA-N
SMILES:
O=C1ONC(=O)C1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.011g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.061g/mol
Monoisotopic Mass:
101.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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