Basic information
- CAS
99661-74-2- Standard SMILES
C=CCOc1ccc(/C=C/c2nc(CC(=O)O)cs2)cc1OC- InChIKey
UTILCFGNDYJVKB-FNORWQNLSA-N- Molecular formula
- C17H17NO4S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.0878292
Names & identifiers
- Preferred name
- Thiazole-4-acetic acid, 2-(4-(allyloxy)-3-methoxystyryl)-
- IUPAC
- 2-[2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-1,3-thiazol-4-yl]acetic acid
Names & synonyms
Thiazole-4-acetic acid, 2-(4-(allyloxy)-3-methoxystyryl)-99661-74-2RefChem:10998462-(4-(Allyloxy)-3-methoxystyryl)thiazole-4-acetic acid4-Thiazoleacetic acid, 2-(2-(3-methoxy-4-(2-propenyloxy)phenyl)ethenyl)-
Database identifiers
- CAS
99661-74-2- PubChem CID
- 6447751
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…