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Home > Imidazoles > 116451-54-8
116451-54-8 | 2H-Imidazol-2-one, 1,3-dihydro-1-methoxy-
CAS No: 116451-54-8 Catalog No: AG000CJF MDL No:
Product Description
Catalog Number:
AG000CJF
Chemical Name:
2H-Imidazol-2-one, 1,3-dihydro-1-methoxy-
CAS Number:
116451-54-8
Molecular Formula:
C4H6N2O2
Molecular Weight:
114.1026
IUPAC Name:
3-methoxy-1H-imidazol-2-one
InChI:
InChI=1S/C4H6N2O2/c1-8-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
InChI Key:
LJRSWTGNXJHZDB-UHFFFAOYSA-N
SMILES:
COn1cc[nH]c1=O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.104g/mol
Monoisotopic Mass:
114.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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