4-[2-(5-Ethylthiophene-3-carbonyl)hydrazinyl]-4-oxobut-2-enoic acid
Basic information
- CAS
522620-93-5- Standard SMILES
CCc1cc(C(=O)NNC(=O)C=CC(=O)O)cs1- InChIKey
GQNKHQYCYZPKFO-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4S
- Average molar mass
- 268.29 g/mol
- Monoisotopic mass
- 268.05177804
Names & identifiers
- Preferred name
- 4-[2-(5-Ethylthiophene-3-carbonyl)hydrazinyl]-4-oxobut-2-enoic acid
- IUPAC
- 4-[2-(5-ethylthiophene-3-carbonyl)hydrazinyl]-4-oxobut-2-enoic acid
Names & synonyms
DTXSID2011709732-Butenedioic acid, 1-[2-[(5-ethyl-3-thienyl)carbonyl]hydrazide]4-[2-(5-ethylthiophene-3-carbonyl)hydrazinyl]-4-oxobut-2-enoic acid522620-93-5
Database identifiers
- CAS
522620-93-5- PubChem CID
- 4096689
- DTXSID
DTXSID201170973
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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