4-Hexynoic acid, 3-oxo-, ethyl ester
Basic information
- CAS
50496-37-2- Standard SMILES
CC#CC(=O)CC(=O)OCC- InChIKey
MBFMOTRQABWXHL-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- 4-Hexynoic acid, 3-oxo-, ethyl ester
- IUPAC
- ethyl 3-oxohex-4-ynoate
Names & synonyms
50496-37-2Ethyl 3-oxohex-4-ynoate4-Hexynoic acid, 3-oxo-, ethyl esterEthyl 3-Oxo-4-hexynoateDTXSID80437118MFCD24690908SY521807
Database identifiers
- CAS
50496-37-2- PubChem CID
- 10241008
- DTXSID
DTXSID80437118
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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