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Home > Imidazoles > 87477-63-2
87477-63-2 | Phenol, 4-[[5-(1H-imidazol-1-yl)pentyl]oxy]-
CAS No: 87477-63-2 Catalog No: AG004I6V MDL No:
Product Description
Catalog Number:
AG004I6V
Chemical Name:
Phenol, 4-[[5-(1H-imidazol-1-yl)pentyl]oxy]-
CAS Number:
87477-63-2
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
4-(5-imidazol-1-ylpentoxy)phenol
InChI:
InChI=1S/C14H18N2O2/c17-13-4-6-14(7-5-13)18-11-3-1-2-9-16-10-8-15-12-16/h4-8,10,12,17H,1-3,9,11H2
InChI Key:
WHVXEERBJDLCFA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)OCCCCCn1cncc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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