4-Thiazoleacetic acid, 2-(2-(3-methoxy-4-(1-methylethoxy)phenyl)ethenyl)-
Basic information
- CAS
99661-72-0- Standard SMILES
COc1cc(/C=C/c2nc(CC(=O)O)cs2)ccc1OC(C)C- InChIKey
PCGPPDKBDJKUFV-FNORWQNLSA-N- Molecular formula
- C17H19NO4S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.10347926
Names & identifiers
- Preferred name
- 4-Thiazoleacetic acid, 2-(2-(3-methoxy-4-(1-methylethoxy)phenyl)ethenyl)-
- IUPAC
- 2-[2-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-thiazol-4-yl]acetic acid
Names & synonyms
4-Thiazoleacetic acid, 2-(2-(3-methoxy-4-(1-methylethoxy)phenyl)ethenyl)-99661-72-0RefChem:10716382-(2-(3-Methoxy-4-(1-methylethoxy)phenyl)ethenyl)-4-thiazoleacetic acid
Database identifiers
- CAS
99661-72-0- PubChem CID
- 6447749
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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