Diethyl naphthalene-1,8-dicarboxylate
Basic information
- CAS
58618-39-6- Standard SMILES
CCOC(=O)c1cccc2cccc(C(=O)OCC)c12- InChIKey
QQVYUYPLQBYRLJ-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Names & identifiers
- Preferred name
- Diethyl naphthalene-1,8-dicarboxylate
- IUPAC
- diethyl naphthalene-1,8-dicarboxylate
Names & synonyms
diethyl naphthalene-1,8-dicarboxylate58618-39-6NSC99902NCIOpen2_007063SCHEMBL3681837DTXSID60295152NSC-99902naphthalene-1,8-dicarboxylic acid diethyl ester
Database identifiers
- CAS
58618-39-6- PubChem CID
- 264703
- DTXSID
DTXSID60295152
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
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Compound notes
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