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10098-40-5 | Benzoic acid, 4-(acetylamino)-3-hydroxy-
CAS No: 10098-40-5 Catalog No: AG0003D5 MDL No:MFCD00869774
Product Description
Catalog Number:
AG0003D5
Chemical Name:
Benzoic acid, 4-(acetylamino)-3-hydroxy-
CAS Number:
10098-40-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00869774
IUPAC Name:
4-acetamido-3-hydroxybenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-5(11)10-7-3-2-6(9(13)14)4-8(7)12/h2-4,12H,1H3,(H,10,11)(H,13,14)
InChI Key:
WEMQDIKMQHBQIC-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1O)C(=O)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Hydrophobic benzoic acids as inhibitors of influenza neuraminidase. | Bioorganic & medicinal chemistry 19991101 |
| Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. | Journal of medicinal chemistry 19971205 |
| Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction. | Journal of medicinal chemistry 19950818 |
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