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Basic information
- CAS
26698-30-6- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(=O)c1cccc2ccc3ccccc3c12- InChIKey
VSJMSXYAXBGOEE-UHFFFAOYSA-N- Molecular formula
- C22H20O5
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.13107373
Names & identifiers
- Preferred name
- Diethyl-4-phenanthroyl malonate
- IUPAC
- diethyl 2-(phenanthrene-4-carbonyl)propanedioate
Names & synonyms
MLS00310680526698-30-6Diethyl-4-phenanthroyl malonateCHEMBL2139954DTXSID40306098VSJMSXYAXBGOEE-UHFFFAOYSA-NNSC174079NSC-174079SMR001821692Diethyl 2-(4-phenanthrylcarbonyl)malonate #Diethyl (phenanthrene-4-carbonyl)propanedioate
Database identifiers
- CAS
26698-30-6- PubChem CID
- 300023
- DTXSID
DTXSID40306098- ChEMBL
CHEMBL2139954
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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