2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-
Basic information
- CAS
653574-91-5- Standard SMILES
N#CCCCOc1cccc(C(O)=CC(=O)C(=O)O)c1- InChIKey
YCGRFFPPEOAEAU-UHFFFAOYSA-N- Molecular formula
- C14H13NO5
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.07937252
Names & identifiers
- Preferred name
- 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-
- IUPAC
- 4-[3-(3-cyanopropoxy)phenyl]-4-hydroxy-2-oxobut-3-enoic acid
Names & synonyms
653574-91-52-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-DTXSID703336754-[3-(3-cyanopropoxy)phenyl]-4-hydroxy-2-oxobut-3-enoic acid
Database identifiers
- CAS
653574-91-5- PubChem CID
- 516703
- DTXSID
DTXSID70333675
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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