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Home > Imidazoles > 518036-07-2
518036-07-2 | 5H-Imidazo[1,5-a]imidazol-5-one,1,6-dihydro-(9CI)
CAS No: 518036-07-2 Catalog No: AG00DX79 MDL No:MFCD18072813
Product Description
Catalog Number:
AG00DX79
Chemical Name:
5H-Imidazo[1,5-a]imidazol-5-one,1,6-dihydro-(9CI)
CAS Number:
518036-07-2
Molecular Formula:
C5H5N3O
Molecular Weight:
123.1127
MDL Number:
MFCD18072813
IUPAC Name:
1,6-dihydroimidazo[1,2-c]imidazol-5-one
InChI:
InChI=1S/C5H5N3O/c9-5-7-3-4-6-1-2-8(4)5/h1-3,6H,(H,7,9)
InChI Key:
IVLQZUWPTYYECJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc2n1cc[nH]2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
123.115g/mol
Monoisotopic Mass:
123.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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