Cinnamic acid, o-sulfamoyl-, propyl ester, (E)-
Basic information
- CAS
21416-92-2- Standard SMILES
CCCOC(=O)/C=C/c1ccccc1S(N)(=O)=O- InChIKey
JIURXXJXDLMZRX-BQYQJAHWSA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.07217913
Names & identifiers
- Preferred name
- Cinnamic acid, o-sulfamoyl-, propyl ester, (E)-
- IUPAC
- propyl (E)-3-(2-sulfamoylphenyl)prop-2-enoate
Names & synonyms
CINNAMIC ACID, o-SULFAMOYL-, PROPYL ESTER, (E)-21416-92-2RefChem:1081832(E)-o-Sulfamoylcinnamic acid propyl esterBRN 2740249
Database identifiers
- CAS
21416-92-2- PubChem CID
- 6433779
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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