Oxalic acid;2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylethanone
Basic information
- CAS
41379-40-2- Standard SMILES
O=C(CN1CCN(CCOc2ccccc2)CC1)c1ccccc1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
JEYNDBQDGFAENF-UHFFFAOYSA-N- Molecular formula
- C24H28N2O10
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 504.17439509
Names & identifiers
- Preferred name
- Oxalic acid;2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylethanone
- IUPAC
- oxalic acid;2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylethanone
Names & synonyms
41379-40-2DTXSID50785618Oxalic acid--2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylethan-1-one (2/1)
Database identifiers
- CAS
41379-40-2- PubChem CID
- 71361972
- DTXSID
DTXSID50785618
Properties
Computed structural properties
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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