Basic information
- CAS
59991-10-5- Standard SMILES
C=Cc1ccccc1CC(C(=O)OCC)C(=O)OCC- InChIKey
FVPOKTGIOYFSIV-UHFFFAOYSA-N- Molecular formula
- C16H20O4
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.13615911
Names & identifiers
- Preferred name
- Diethyl [(2-ethenylphenyl)methyl]propanedioate
- IUPAC
- diethyl 2-[(2-ethenylphenyl)methyl]propanedioate
Names & synonyms
59991-10-5Diethyl [(2-ethenylphenyl)methyl]propanedioateSCHEMBL9688197DTXSID90469844
Database identifiers
- CAS
59991-10-5- PubChem CID
- 11637660
- DTXSID
DTXSID90469844
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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