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Home > Imidazoles > 853657-79-1
853657-79-1 | 2,5(1H,3H)-Cyclopentimidazoledione
CAS No: 853657-79-1 Catalog No: AG004OXV MDL No:
Product Description
Catalog Number:
AG004OXV
Chemical Name:
2,5(1H,3H)-Cyclopentimidazoledione
CAS Number:
853657-79-1
Molecular Formula:
C6H4N2O2
Molecular Weight:
136.1082
IUPAC Name:
1,3-dihydrocyclopenta[d]imidazole-2,5-dione
InChI:
InChI=1S/C6H4N2O2/c9-3-1-4-5(2-3)8-6(10)7-4/h1-2H,(H2,7,8,10)
InChI Key:
IAHMRWFNTSHXME-UHFFFAOYSA-N
SMILES:
O=c1cc2c(c1)[nH]c(=O)[nH]2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
136.11g/mol
Monoisotopic Mass:
136.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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