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Home > Imidazoles > 83329-71-9
83329-71-9 | 1,4-diimidazol-1-ylbutane-1,4-dione
CAS No: 83329-71-9 Catalog No: AG008I9I MDL No:
Product Description
Catalog Number:
AG008I9I
Chemical Name:
1,4-diimidazol-1-ylbutane-1,4-dione
CAS Number:
83329-71-9
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
IUPAC Name:
1,4-di(imidazol-1-yl)butane-1,4-dione
InChI:
InChI=1S/C10H10N4O2/c15-9(13-5-3-11-7-13)1-2-10(16)14-6-4-12-8-14/h3-8H,1-2H2
InChI Key:
ICDIYWVMRXHECJ-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)CCC(=O)n1cncc1
NSC Number:
521875
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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