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99761-74-7 | 2-{4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}ethan-1-ol
CAS No: 99761-74-7 Catalog No: AG01C36I MDL No:
Product Description
Catalog Number:
AG01C36I
Chemical Name:
2-{4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}ethan-1-ol
CAS Number:
99761-74-7
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanol
InChI:
InChI=1S/C13H16N2O2/c16-9-5-12-1-3-13(4-2-12)17-10-8-15-7-6-14-11-15/h1-4,6-7,11,16H,5,8-10H2
InChI Key:
LQQIZTXSZOYPPS-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)OCCn1cncc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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