Ethyl acetoacetate semicarbazone
Basic information
- CAS
5982-65-0- Standard SMILES
CCOC(=O)C/C(C)=N\NC(N)=O- InChIKey
BSUHPUZHTUIERW-UITAMQMPSA-N- Molecular formula
- C7H13N3O3
- Average molar mass
- 187.2 g/mol
- Monoisotopic mass
- 187.09569129
Names & identifiers
- Preferred name
- Ethyl acetoacetate semicarbazone
- IUPAC
- ethyl (3Z)-3-(carbamoylhydrazinylidene)butanoate
Names & synonyms
Ethyl acetoacetate semicarbazone5982-65-0ethyl (3Z)-3-(carbamoylhydrazinylidene)butanoateethyl 3-[(E)-2-(aminocarbonyl)hydrazono]butanoateAcetoacetic acid, semicarbazoneAcetoacetic acid, 3-semicarbazoneNSC404168AKOS022146787NSC-404168
Database identifiers
- CAS
5982-65-0- PubChem CID
- 5962924
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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