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Home Other Building Blocks 4-Acetamido-3-hydroxybenzoic acid

4-Acetamido-3-hydroxybenzoic acid

CAS No.:
10098-40-5
Catalog Number:
AG0003D5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$275
- +
5g
95%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG0003D5
Chemical Name:
4-Acetamido-3-hydroxybenzoic acid
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
Properties