4-Thiazolecarboxylic acid, 2-(2-(4-methoxy-3-(2-propenyloxy)phenyl)ethenyl)-
Basic information
- CAS
99661-67-3- Standard SMILES
C=CCOc1cc(/C=C/c2nc(C(=O)O)cs2)ccc1OC- InChIKey
XGPNVDQVZLZOAX-FNORWQNLSA-N- Molecular formula
- C16H15NO4S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.07217913
Names & identifiers
- Preferred name
- 4-Thiazolecarboxylic acid, 2-(2-(4-methoxy-3-(2-propenyloxy)phenyl)ethenyl)-
- IUPAC
- 2-[(E)-2-(4-methoxy-3-prop-2-enoxyphenyl)ethenyl]-1,3-thiazole-4-carboxylic acid
Names & synonyms
4-Thiazolecarboxylic acid, 2-(2-(4-methoxy-3-(2-propenyloxy)phenyl)ethenyl)-99661-67-3RefChem:10716492-(2-(4-Methoxy-3-(2-propenyloxy)phenyl)ethenyl)-4-thiazolecarboxylic acid
Database identifiers
- CAS
99661-67-3- PubChem CID
- 6447744
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 415
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