Basic information
- CAS
36782-41-9- Standard SMILES
Cc1cccc(-c2nc3ccc(CC(=O)O)cc3s2)c1O- InChIKey
SASVEAACVSHSDE-UHFFFAOYSA-N- Molecular formula
- C16H13NO3S
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.06161445
Names & identifiers
- Preferred name
- 6-Benzothiazoleacetic acid, 2-(2-hydroxy-m-tolyl)-
- IUPAC
- 2-[2-(2-hydroxy-3-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
- English name
- 2-(2-Hydroxy-3-methylphenyl)-6-benzothiazoleacetic acid
- Molecular weight
- 0
Names & synonyms
36782-41-96-BENZOTHIAZOLEACETIC ACID, 2-(2-HYDROXY-m-TOLYL)-RefChem:10738172-(2-Hydroxy-m-tolyl)-6-benzothiazoleacetic acidBRN 08238672-(2-Hydroxy-3-methylphenyl)-6-benzothiazoleacetic acidDTXSID901384282DB-269083
Database identifiers
- CAS
36782-41-9- PubChem CID
- 37536
- DTXSID
DTXSID901384282- Nikkaji
- J54.536H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…