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206558-30-7 | 4-[(4-Acetylpiperazin-1-yl)carbonyl]phenol
CAS No: 206558-30-7 Catalog No: AG01FM9H MDL No:MFCD05862405
Product Description
Catalog Number:
AG01FM9H
Chemical Name:
4-[(4-Acetylpiperazin-1-yl)carbonyl]phenol
CAS Number:
206558-30-7
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD05862405
IUPAC Name:
1-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C13H16N2O3/c1-10(16)14-6-8-15(9-7-14)13(18)11-2-4-12(17)5-3-11/h2-5,17H,6-9H2,1H3
InChI Key:
SFPKQOVNNVTULM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)O)N1CCN(CC1)C(=O)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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