(1E,3E)-2-methyl-4-(2-(pyridine-4-carbonyl)hydrazinyl)penta-1,3-diene-1-sulfonic Acid
Basic information
- CAS
106710-58-1- Standard SMILES
CC(=C\S(=O)(=O)O)/C=C(\C)NNC(=O)c1ccncc1- InChIKey
WFVONYNOAWYMHS-DGLUDJRXSA-N- Molecular formula
- C12H15N3O4S
- Average molar mass
- 297.33 g/mol
- Monoisotopic mass
- 297.07832714
Names & identifiers
- Preferred name
- (1E,3E)-2-methyl-4-(2-(pyridine-4-carbonyl)hydrazinyl)penta-1,3-diene-1-sulfonic Acid
- IUPAC
- (1E,3E)-2-methyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid
Names & synonyms
(1E,3E)-2-methyl-4-(2-(pyridine-4-carbonyl)hydrazinyl)penta-1,3-diene-1-sulfonic Acid106710-58-1
Database identifiers
- CAS
106710-58-1- PubChem CID
- 6442947
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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