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144647-61-0 | 4H-Imidazol-4-one, 3,5-dihydro-2,5,5-trimethyl-, perchlorate (1:1)
CAS No: 144647-61-0 Catalog No: AG001JWV MDL No:
Product Description
Catalog Number:
AG001JWV
Chemical Name:
4H-Imidazol-4-one, 3,5-dihydro-2,5,5-trimethyl-, perchlorate (1:1)
CAS Number:
144647-61-0
Molecular Formula:
C6H11ClN2O5
Molecular Weight:
226.6149
IUPAC Name:
perchloric acid;2,4,4-trimethyl-1H-imidazol-5-one
InChI:
InChI=1S/C6H10N2O.ClHO4/c1-4-7-5(9)6(2,3)8-4;2-1(3,4)5/h1-3H3,(H,7,8,9);(H,2,3,4,5)
InChI Key:
AXNSTGBPAPBMMI-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.CC1=NC(C(=O)N1)(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.613g/mol
Monoisotopic Mass:
226.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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