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10098-40-5,MFCD00869774
Catalog No.:AA0003AD
10098-40-5 | 4-Acetamido-3-hydroxybenzoic acid
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1g
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$349.00   $245.00
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5g
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0003AD
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
Computed 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  

Synonyms
 
4-acetamido-3-hydroxybenzoic acid 
10098-40-5 
CTK0G8523 
DTXSID60329643 
4-acetamido-3-hydroxy-benzoic acid 
ZINC1726450 
ANW-14409 
MFCD00869774 
AKOS010045022 
3-Hydroxy-4-(acetylamino)benzoic acid 
AJ-31101 
DA-16402 
BANA 101 
3-HYDROXY-4-ACETYLAMINOBENZOIC ACID 
TC-103154 
FT-0739488 
ST24023260 
Z6334 
I01-11304 
C9H9NO4 
4-Acetamido-3-hydroxybenzoicacid 
CID422136 
B-6244 
Benzoic acid, 4-(acetylamino)-3-hydroxy- 
4-(Acetylamino)-3-hydroxybenzoic acid 
AC1L9LZO 
ACMC-2097tn 
CHEMBL1145 
BDBM5273 
SCHEMBL8018270 
Literature

Title: Hydrophobic benzoic acids as inhibitors of influenza neuraminidase.

Journal: Bioorganic & medicinal chemistry 19991101

Title: Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.

Journal: Journal of medicinal chemistry 19971205

Title: Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction.

Journal: Journal of medicinal chemistry 19950818

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