Basic information
- CAS
94030-84-9- Standard SMILES
CCCC(=O)Oc1ccccc1/C=C/C(=O)OCC- InChIKey
ALJYPZLVMYTXLG-ZHACJKMWSA-N- Molecular formula
- C15H18O4
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.12050905
Overview
See also: 2-(3-Ethoxy-3-oxo-1-propen-1-yl)phenyl butanoate (annotation moved to).
Names & identifiers
- Preferred name
- 2-(3-Ethoxy-3-oxoprop-1-enyl)phenyl butyrate
- IUPAC
- [2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] butanoate
Names & synonyms
2-(3-Ethoxy-3-oxoprop-1-enyl)phenyl butyrateEINECS 301-689-3[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] butanoate3FQ8NQF8AQALJYPZLVMYTXLG-ZHACJKMWSA-NButanoic acid, 2-(3-ethoxy-3-oxo-1-propen-1-yl)phenyl ester
Database identifiers
- CAS
94030-84-9- PubChem CID
- 6366369
- UNII
- 3FQ8NQF8AQ
- Nikkaji
- J349.018A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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