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4-Aminosalicylic acid

CAT: 0957-S5211-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:0957-S5211-25mgSize:25 mg
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CAS Number
65-49-6
Synonyms
Para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate
Target
Bacterial
Applications
Microbiology
Smiles
C1=CC (=C (C=C1N) O) C (=O) O
Molecular Formula
C7H7NO3
Additionnal Information
4-Aminosalicylic acid (Para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate) is an antitubercular agent with bacteriostatic activity against Mycobacterium tuberculosis.
Storage Conditions
2 years -80 in solvent

Chemical Information

4-Aminosalicylic Acid

4-aminosalicylic acid is an aminobenzoic acid that is salicylic acid substituted by an amino group at position 4. It has a role as an antitubercular agent. It is an aminobenzoic acid and a member of phenols. It is functionally related to a salicylic acid. It is a conjugate acid of a 4-aminosalicylate(1-).

CAS Number65-49-6
PubChem CID4649
IUPAC Name4-amino-2-hydroxybenzoic acid
Molecular FormulaC7H7NO3
Molecular Weight153.14
XLogP1.3
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
C1=CC(=C(C=C1N)O)C(=O)O
InChI
InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
InChIKey
WUBBRNOQWQTFEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Aminosalicylic Acid
CAS: 65-49-6
CID: 4649
Formula: C7H7NO3
MW: 153.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight153.14
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass153.042593085
Monoisotopic Mass153.042593085
Topological Polar Surface Area83.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes