Methyl 4-[2-(2,4-dinitrophenyl)hydrazinylidene]pentanoate
Basic information
- CAS
6157-91-1- Standard SMILES
COC(=O)CCC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
RKMIQCRJWKZHCK-UHFFFAOYSA-N- Molecular formula
- C12H14N4O6
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.09133418
Names & identifiers
- Preferred name
- Methyl 4-[2-(2,4-dinitrophenyl)hydrazinylidene]pentanoate
- IUPAC
- methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]pentanoate
Names & synonyms
6157-91-1methyl 4-[2-(2,4-dinitrophenyl)hydrazinylidene]pentanoateDTXSID50279623HMS2458L03
Database identifiers
- CAS
6157-91-1- PubChem CID
- 224715
- DTXSID
DTXSID50279623
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 456
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Related reactions
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Compound notes
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