4-Thiazolecarboxylic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-
Basic information
- CAS
99661-71-9- Standard SMILES
COc1ccc(/C=C/c2nc(C(=O)O)cs2)cc1OC- InChIKey
FCTOWXHAYWTGEX-GQCTYLIASA-N- Molecular formula
- C14H13NO4S
- Average molar mass
- 291.32 g/mol
- Monoisotopic mass
- 291.05652907
Names & identifiers
- Preferred name
- 4-Thiazolecarboxylic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-
- IUPAC
- 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazole-4-carboxylic acid
Names & synonyms
4-Thiazolecarboxylic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-99661-71-9RefChem:10716442-(2-(3,4-Dimethoxyphenyl)ethenyl)-4-thiazolecarboxylic acid
Database identifiers
- CAS
99661-71-9- PubChem CID
- 6447748
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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