Basic information
- Standard SMILES
CCOc1ccc(C#CC(=O)OC)cc1- InChIKey
QLRFTYVLYFNRMK-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(4-ethoxyphenyl)propiolate
- IUPAC
- methyl 3-(4-ethoxyphenyl)prop-2-ynoate
Names & synonyms
221148-26-1methyl 3-(4-ethoxyphenyl)propiolateSCHEMBL5453924QLRFTYVLYFNRMK-UHFFFAOYSA-NMFCD20347280AKOS013859888Methyl 3-(4-ethoxyphenyl)-2-propynoatemethyl 3-(4-ethoxyphenyl)prop-2-inoatemethyl 3-(4-ethoxy-phenyl)-prop-2-ynoic acid2-Propynoicacid,3-(4-ethoxyphenyl)-,methylester(9CI)
Database identifiers
- PubChem CID
- 22562335
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Related reactions
3 records
Compound notes
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