Basic information
- CAS
93539-60-7- Standard SMILES
CC(C)C(C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1)C(=O)O- InChIKey
ABMZXLFWSNGJPU-NBVRZTHBSA-N- Molecular formula
- C16H20N4O6
- Average molar mass
- 364.35 g/mol
- Monoisotopic mass
- 364.13828437
Names & identifiers
- Preferred name
- (4E)-4-cyclopropyl-4-[(2,4-dinitrophenyl)hydrazinylidene]-2-propan-2-ylbutanoic acid
- IUPAC
- (4E)-4-cyclopropyl-4-[(2,4-dinitrophenyl)hydrazinylidene]-2-propan-2-ylbutanoic acid
Names & synonyms
93539-60-7NSC338000NSC-338000
Database identifiers
- CAS
93539-60-7- PubChem CID
- 5852829
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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