4-[2-(2,4-Dinitrophenyl)hydrazinylidene]pentanoic acid
Basic information
- CAS
5457-82-9- Standard SMILES
CC(CCC(=O)O)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
BKRPHSYZQDBACK-UHFFFAOYSA-N- Molecular formula
- C11H12N4O6
- Average molar mass
- 296.24 g/mol
- Monoisotopic mass
- 296.07568412
Names & identifiers
- Preferred name
- 4-[2-(2,4-Dinitrophenyl)hydrazinylidene]pentanoic acid
- IUPAC
- 4-[(2,4-dinitrophenyl)hydrazinylidene]pentanoic acid
Names & synonyms
5457-82-9DTXSID80969808HMS2514N11HMS3375A12Lavulinsaure-2,4-Dinitrophenylhydrazon4-[2-(2,4-dinitrophenyl)hydrazinylidene]pentanoic acid
Database identifiers
- CAS
5457-82-9- PubChem CID
- 229878
- DTXSID
DTXSID80969808
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
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Compound notes
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