Basic information
- CAS
10098-40-5- Standard SMILES
CC(=O)Nc1ccc(C(=O)O)cc1O- InChIKey
WEMQDIKMQHBQIC-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Overview
4-acetamido-3-hydroxybenzoic acid has been reported in Streptomyces rochei and Streptomyces vinaceusdrappus with data available.
Names & identifiers
- Preferred name
- 4-Acetamido-3-hydroxybenzoic acid
- IUPAC
- 4-acetamido-3-hydroxybenzoic acid
- English name
- 4-Acetamido-3-hydroxybenzoic acid
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
4-acetamido-3-hydroxybenzoic acid10098-40-5Benzoic acid, 4-(acetylamino)-3-hydroxy-MFCD00869774BANA 1014-acetamido-3-hydroxy-benzoic acid4-Acetamido-3-hydroxybenzoicacidOseltamivir Impurity 1334-(Acetylamino)-3-hydroxybenzoic Acid; 3-Hydroxy-4-(acetylamino)benzoic Acid; BANA 101; NSC 141843;CHEMBL1145BDBM5273SCHEMBL8018270
Show more names
Oseltamivir Impurity 127
SCHEMBL31026207DTXSID60329643AKOS0100450224-(Acetylamino)-3-hydroxybenzoic acidAS-64558DA-164023-HYDROXY-4-ACETYLAMINOBENZOIC ACIDW18803
Database identifiers
- CAS
10098-40-5- PubChem CID
- 422136
- DTXSID
DTXSID60329643- ChEMBL
CHEMBL1145- Nikkaji
- J431.693B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Dark Brown to Very Dark Brown
Chemistry & industry
Applications
Uses4-Acetamido-3-hydroxybenzoic Acid is used as a reactant in the preparation of (aminophenyl)benzothiazoles with cytotoxic and antitumor activity.
Upstream & downstream products
Upstream raw materials
Suppliers21 total
天津始加生物医药科技有限公司15022261580 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Aladdin Scientific[email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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