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88945-43-1 | 1H-Imidazole, 4-methoxy-
CAS No: 88945-43-1 Catalog No: AG0047Y5 MDL No:
Product Description
Catalog Number:
AG0047Y5
Chemical Name:
1H-Imidazole, 4-methoxy-
CAS Number:
88945-43-1
Molecular Formula:
C4H6N2O
Molecular Weight:
98.1032
IUPAC Name:
5-methoxy-1H-imidazole
InChI:
InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
InChI Key:
YXSUIVZFLAJASX-UHFFFAOYSA-N
SMILES:
COc1c[nH]cn1
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.105g/mol
Monoisotopic Mass:
98.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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