4-Thiazolecarboxylic acid, 2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-
Basic information
- CAS
99661-70-8- Standard SMILES
COc1cc(/C=C/c2nc(C(=O)O)cs2)cc(OC)c1OC- InChIKey
MLHATLDRACIXFA-SNAWJCMRSA-N- Molecular formula
- C15H15NO5S
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.06709375
Names & identifiers
- Preferred name
- 4-Thiazolecarboxylic acid, 2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-
- IUPAC
- 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole-4-carboxylic acid
Names & synonyms
4-Thiazolecarboxylic acid, 2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-99661-70-8RefChem:10716432-(2-(3,4,5-Trimethoxyphenyl)ethenyl)-4-thiazolecarboxylic acid
Database identifiers
- CAS
99661-70-8- PubChem CID
- 6447747
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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