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67914-60-7 | 4-(1-Acetylpiperazin-4-yl)Phenol
CAS No: 67914-60-7 Catalog No: AG003JXV MDL No:MFCD00044905
Product Description
Catalog Number:
AG003JXV
Chemical Name:
4-(1-Acetylpiperazin-4-yl)Phenol
CAS Number:
67914-60-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD00044905
IUPAC Name:
1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3
InChI Key:
AGVNLFCRZULMKK-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1ccc(cc1)O
EC Number:
267-744-8
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Partial structures of ketoconazole as modulators of the large conductance calcium-activated potassium channel (BK(Ca)). | Bioorganic & medicinal chemistry letters 20060215 |
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