Cinnamic acid, o-sulfamoyl-, methyl ester, (E)-
Basic information
- CAS
21416-94-4- Standard SMILES
COC(=O)/C=C/c1ccccc1S(N)(=O)=O- InChIKey
SMWJHXUZYMSWDL-VOTSOKGWSA-N- Molecular formula
- C10H11NO4S
- Average molar mass
- 241.27 g/mol
- Monoisotopic mass
- 241.04087901
Names & identifiers
- Preferred name
- Cinnamic acid, o-sulfamoyl-, methyl ester, (E)-
- IUPAC
- methyl (E)-3-(2-sulfamoylphenyl)prop-2-enoate
Names & synonyms
CINNAMIC ACID, o-SULFAMOYL-, METHYL ESTER, (E)-21416-94-4RefChem:1081831(E)-o-Sulfamoylcinnamic acid methyl esterBRN 2733849SCHEMBL29469911
Database identifiers
- CAS
21416-94-4- PubChem CID
- 6433780
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 369
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Related reactions
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Compound notes
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