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160777-08-2 | Heptanoic acid, 7-oxo-7-(phenylamino)-
CAS No: 160777-08-2 Catalog No: AG001VBW MDL No:MFCD16251482
Product Description
Catalog Number:
AG001VBW
Chemical Name:
Heptanoic acid, 7-oxo-7-(phenylamino)-
CAS Number:
160777-08-2
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD16251482
IUPAC Name:
7-anilino-7-oxoheptanoic acid
InChI:
InChI=1S/C13H17NO3/c15-12(9-5-2-6-10-13(16)17)14-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)(H,16,17)
InChI Key:
DTZWAOUERANOLX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CCCCCC(=O)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Histone deacetylase inhibitors reverse gene silencing in Friedreich's ataxia. | Nature chemical biology 20061001 |
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