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114917-97-4 | Benzeneheptanamide, N-hydroxy-
CAS No: 114917-97-4 Catalog No: AG000FFK MDL No:
Product Description
Catalog Number:
AG000FFK
Chemical Name:
Benzeneheptanamide, N-hydroxy-
CAS Number:
114917-97-4
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
N-hydroxy-7-phenylheptanamide
InChI:
InChI=1S/C13H19NO2/c15-13(14-16)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,16H,1-2,4,7-8,11H2,(H,14,15)
InChI Key:
NNJQOJGUOHTKTF-UHFFFAOYSA-N
SMILES:
ONC(=O)CCCCCCc1ccccc1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| QSAR studies of PC-3 cell line inhibition activity of TSA and SAHA-like hydroxamic acids. | Bioorganic & medicinal chemistry letters 20040209 |
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