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Home > Imidazoles > 1017789-63-7
1017789-63-7 | Benzenemethanol, 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)-
CAS No: 1017789-63-7 Catalog No: AG0005JY MDL No:MFCD09991721
Product Description
Catalog Number:
AG0005JY
Chemical Name:
Benzenemethanol, 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)-
CAS Number:
1017789-63-7
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD09991721
IUPAC Name:
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanol
InChI:
InChI=1S/C12H14N2O2/c1-9-6-14(8-13-9)11-4-3-10(7-15)5-12(11)16-2/h3-6,8,15H,7H2,1-2H3
InChI Key:
WJPVRAIPKWEAHT-UHFFFAOYSA-N
SMILES:
COc1cc(CO)ccc1n1cnc(c1)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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