4-Thiazolecarboxylic acid, 2-(2-(3-methoxy-4-propoxyphenyl)ethenyl)-
Basic information
- CAS
99661-68-4- Standard SMILES
CCCOc1ccc(/C=C/c2nc(C(=O)O)cs2)cc1OC- InChIKey
NUTALJIGESRMNB-FNORWQNLSA-N- Molecular formula
- C16H17NO4S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.0878292
Names & identifiers
- Preferred name
- 4-Thiazolecarboxylic acid, 2-(2-(3-methoxy-4-propoxyphenyl)ethenyl)-
- IUPAC
- 2-[(E)-2-(3-methoxy-4-propoxyphenyl)ethenyl]-1,3-thiazole-4-carboxylic acid
Names & synonyms
4-Thiazolecarboxylic acid, 2-(2-(3-methoxy-4-propoxyphenyl)ethenyl)-99661-68-4RefChem:10716472-(2-(3-Methoxy-4-propoxyphenyl)ethenyl)-4-thiazolecarboxylic acid
Database identifiers
- CAS
99661-68-4- PubChem CID
- 6447745
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
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