4-(Acetylamino)-3-acetoxybenzoic acid

HCID 493845
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Basic information

Standard SMILES
CC(=O)Nc1ccc(C(=O)O)cc1OC(C)=O
InChIKey
ZNHZOYIHGBRZNY-UHFFFAOYSA-N
Molecular formula
C11H11NO5
Average molar mass
237.21 g/mol
Monoisotopic mass
237.06372245

Names & identifiers

Preferred name
4-(Acetylamino)-3-acetoxybenzoic acid
IUPAC
4-acetamido-3-acetyloxybenzoic acid

Names & synonyms

4-(acetylamino)-3-acetoxybenzoic acid162252-43-9CHEMBL109004SCHEMBL83743254-acetamido-3-acetoxybenzoic acidZNHZOYIHGBRZNY-UHFFFAOYSA-N4-acetamido-3-acetoxy-benzoic acid3-Acetoxy-4-(Acetylamino)Benzoic Acid4-(Acetylamino)-3-acetyloxybenzoic acid

Database identifiers

PubChem CID
493845
ChEMBL
CHEMBL109004
Nikkaji
J690.778D

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
92.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

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