2-Butynoic acid, 4-oxo-4-phenyl-, ethyl ester
Basic information
- CAS
54966-47-1- Standard SMILES
CCOC(=O)C#CC(=O)c1ccccc1- InChIKey
XGUAEEGZGYIHBV-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Names & identifiers
- Preferred name
- 2-Butynoic acid, 4-oxo-4-phenyl-, ethyl ester
- IUPAC
- ethyl 4-oxo-4-phenylbut-2-ynoate
- English name
- 4-Oxo-4-phenyl-2-butynoic acid ethyl ester
- Molecular formula
- C12H10O3
- Molecular weight
- 202.21
Names & synonyms
54966-47-12-Butynoic acid, 4-oxo-4-phenyl-, ethyl esterDTXSID20341063RefChem:258138DTXCID40292144ethyl 4-oxo-4-phenylbut-2-ynoate4-Oxo-4-phenyl-2-butynoic acid ethyl esterXGUAEEGZGYIHBV-UHFFFAOYSA-NEthyl 4-oxo-4-phenyl-2-butynoate #DB-316719
Database identifiers
- CAS
54966-47-1- PubChem CID
- 569708
- DTXSID
DTXSID20341063- Nikkaji
- J117.470C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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