(1E,3E)-2-Methyl-4-(2-(2-phenylacetyl)hydrazinyl)penta-1,3-diene-1-sulfonic acid
Basic information
- CAS
106710-56-9- Standard SMILES
CC(=C\S(=O)(=O)O)/C=C(\C)NNC(=O)Cc1ccccc1- InChIKey
JZAUIJCSFDYZCA-HKCCEGKBSA-N- Molecular formula
- C14H18N2O4S
- Average molar mass
- 310.37 g/mol
- Monoisotopic mass
- 310.09872823
Names & identifiers
- Preferred name
- (1E,3E)-2-Methyl-4-(2-(2-phenylacetyl)hydrazinyl)penta-1,3-diene-1-sulfonic acid
- IUPAC
- (1E,3E)-2-methyl-4-[2-(2-phenylacetyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid
Names & synonyms
(1E,3E)-2-Methyl-4-(2-(2-phenylacetyl)hydrazinyl)penta-1,3-diene-1-sulfonic acid106710-56-9
Database identifiers
- CAS
106710-56-9- PubChem CID
- 6442945
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 512
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Compound notes
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