Agn-PC-009zmn
Basic information
- CAS
420132-20-3- Standard SMILES
C=C=CCC(CC=O)(C(=O)OCC)C(=O)OCC- InChIKey
QPNYCESJPDNKJG-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.11542367
Names & identifiers
- Preferred name
- Agn-PC-009zmn
- IUPAC
- diethyl 2-buta-2,3-dienyl-2-(2-oxoethyl)propanedioate
Names & synonyms
AGN-PC-009ZMN420132-20-3DTXSID80467319RefChem:317525DTXCID70418138Diethyl (buta-2,3-dien-1-yl)(2-oxoethyl)propanedioate
Database identifiers
- CAS
420132-20-3- PubChem CID
- 11482201
- DTXSID
DTXSID80467319- Nikkaji
- J1.680.208E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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