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Home > Imidazoles > 1093980-57-4
1093980-57-4 | 1H-IMidazole, 1-(4-ethynyl-2-Methoxyphenyl)-4-Methyl-
CAS No: 1093980-57-4 Catalog No: AG008TAW MDL No:
Product Description
Catalog Number:
AG008TAW
Chemical Name:
1H-IMidazole, 1-(4-ethynyl-2-Methoxyphenyl)-4-Methyl-
CAS Number:
1093980-57-4
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
1-(4-ethynyl-2-methoxyphenyl)-4-methylimidazole
InChI:
InChI=1S/C13H12N2O/c1-4-11-5-6-12(13(7-11)16-3)15-8-10(2)14-9-15/h1,5-9H,2-3H3
InChI Key:
BLCDRDHCECSGCA-UHFFFAOYSA-N
SMILES:
COc1cc(C#C)ccc1n1cnc(c1)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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