Basic information
- CAS
99661-75-3- Standard SMILES
C=CCOc1cc(/C=C/c2nc(CC(=O)O)cs2)ccc1OC- InChIKey
QZYDEMPUZGYWCB-FNORWQNLSA-N- Molecular formula
- C17H17NO4S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.0878292
Names & identifiers
- Preferred name
- 4-Thiazoleacetic acid, 2-(2-(4-methoxy-3-(2-propenyloxy)phenyl)ethenyl)-
- IUPAC
- 2-[2-[(E)-2-(4-methoxy-3-prop-2-enoxyphenyl)ethenyl]-1,3-thiazol-4-yl]acetic acid
Names & synonyms
4-Thiazoleacetic acid, 2-(2-(4-methoxy-3-(2-propenyloxy)phenyl)ethenyl)-99661-75-3RefChem:10716402-(2-(4-Methoxy-3-(2-propenyloxy)phenyl)ethenyl)-4-thiazoleacetic acid
Database identifiers
- CAS
99661-75-3- PubChem CID
- 6447752
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…