dimethyl (2E)-2-(benzoylhydrazinylidene)butanedioate
Basic information
- CAS
16135-18-5- Standard SMILES
COC(=O)C/C(=N\NC(=O)c1ccccc1)C(=O)OC- InChIKey
GXKLFYMLSUVTKL-GXDHUFHOSA-N- Molecular formula
- C13H14N2O5
- Average molar mass
- 278.26 g/mol
- Monoisotopic mass
- 278.09027155
Names & identifiers
- Preferred name
- dimethyl (2E)-2-(benzoylhydrazinylidene)butanedioate
- IUPAC
- dimethyl (2E)-2-(benzoylhydrazinylidene)butanedioate
Names & synonyms
NSC20474416135-18-5DTXSID90422494NSC-204744Dimethyl (2E)-2-(2-benzoylhydrazinylidene)butanedioate
Database identifiers
- CAS
16135-18-5- PubChem CID
- 6314232
- DTXSID
DTXSID90422494
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
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Related reactions
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Compound notes
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