2-Thiopheneacetic acid, 4-carboxy-5-cinnamamido-3-methyl-
Basic information
- CAS
105522-87-0- Standard SMILES
Cc1c(CC(=O)O)sc(NC(=O)/C=C/c2ccccc2)c1C(=O)O- InChIKey
YDHHQDSXFVCFLL-BQYQJAHWSA-N- Molecular formula
- C17H15NO5S
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.06709375
Names & identifiers
- Preferred name
- 2-Thiopheneacetic acid, 4-carboxy-5-cinnamamido-3-methyl-
- IUPAC
- 5-(carboxymethyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylic acid
Names & synonyms
2-Thiopheneacetic acid, 4-carboxy-5-cinnamamido-3-methyl-105522-87-0RefChem:1064848BRN 56161944-Carboxy-5-cinnamamido-3-methyl-2-thiopheneacetic acid2-Thiopheneacetic acid, 4-carboxy-3-methyl-5-((1-oxo-3-phenyl-2-propenyl)amino)-
Database identifiers
- CAS
105522-87-0- PubChem CID
- 6447862
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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