Basic information
- Standard SMILES
CCOC(=O)/C(=C/C=C/c1ccc(C)cc1)N=[N+]=[N-]- InChIKey
NGTBAEGFNOKDPE-XFYQWYMDSA-N- Molecular formula
- C14H15N3O2
- Average molar mass
- 257.29 g/mol
Names & identifiers
- Preferred name
- Ethyl (2Z,4E)-2-azido-5-(4-methylphenyl)penta-2,4-dienoate
- IUPAC
- ethyl (2Z,4E)-2-azido-5-(4-methylphenyl)penta-2,4-dienoate
Names & synonyms
SCHEMBL14266646NGTBAEGFNOKDPE-XFYQWYMDSA-NEthyl (2Z,4E)-2-azido-5-(4-methylphenyl)penta-2,4-dienoate
Database identifiers
- PubChem CID
- 12378027
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Related reactions
2 records
Linked notes
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