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27796-91-4 | 1H-Imidazole-4,5-dione
CAS No: 27796-91-4 Catalog No: AG002UR3 MDL No:
Product Description
Catalog Number:
AG002UR3
Chemical Name:
1H-Imidazole-4,5-dione
CAS Number:
27796-91-4
Molecular Formula:
C3H2N2O2
Molecular Weight:
98.0602
IUPAC Name:
1H-imidazole-4,5-dione
InChI:
InChI=1S/C3H2N2O2/c6-2-3(7)5-1-4-2/h1H,(H,4,5,6,7)
InChI Key:
ODZYMSKQIROSOC-UHFFFAOYSA-N
SMILES:
O=C1N=CNC1=O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.012g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.061g/mol
Monoisotopic Mass:
98.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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