Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate
Basic information
- CAS
60521-64-4- Standard SMILES
CCOC(=O)C#Cc1ccc(C#CC(=O)OCC)cc1- InChIKey
VXHLFKXIFYDPFI-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate
- IUPAC
- ethyl 3-[4-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate
Names & synonyms
60521-64-4ethyl 3-[4-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoateNSC281930CHEMBL1979544DTXSID90314300NSC-281930NCI60_002306Diethyl 3,3'-(1,4-phenylene)di(prop-2-ynoate)ethyl 3-[(4-ethoxycarbonylethynyl)phenyl]-propynoate
Database identifiers
- CAS
60521-64-4- PubChem CID
- 323110
- DTXSID
DTXSID90314300- ChEMBL
CHEMBL1979544- Nikkaji
- J1.150.063C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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