Basic information
- CAS
36774-70-6- Standard SMILES
O=C(O)Cc1ccc2sc(-c3ccccc3O)nc2c1- InChIKey
DBDGIESKIDQGRA-UHFFFAOYSA-N- Molecular formula
- C15H11NO3S
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.04596439
Names & identifiers
- Preferred name
- 5-Benzothiazoleacetic acid, 2-(2-hydroxyphenyl)-
- IUPAC
- 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-5-yl]acetic acid
- English name
- 2-(2-Hydroxyphenyl)-5-benzothiazoleacetic acid
- Molecular weight
- 0
Names & synonyms
36774-70-65-BENZOTHIAZOLEACETIC ACID, 2-(2-HYDROXYPHENYL)-RefChem:10726542-(2-Hydroxyphenyl)-5-benzothiazoleacetic acidBRN 0812818DB-259972
Database identifiers
- CAS
36774-70-6- PubChem CID
- 37532
- Nikkaji
- J54.535J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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