Basic information
- CAS
6341-60-2- Standard SMILES
CCOC(=O)C(C(=O)OCC)c1cccc2ccccc12- InChIKey
BWBVCAXBRMQDJU-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050906
Names & identifiers
- Preferred name
- Diethyl 2-(1-naphthyl)malonate
- IUPAC
- diethyl 2-naphthalen-1-ylpropanedioate
- English name
- 2-NAPHTHALEN-1-YL-MALONIC ACID DIETHYL ESTER
- Molecular formula
- C17H18O4
- Molecular weight
- 286.32
Names & synonyms
6341-60-2diethyl 2-(1-naphthyl)malonateDiethyl 2-(naphthalen-1-yl)malonate1,3-DIETHYL 2-(NAPHTHALEN-1-YL)PROPANEDIOATENSC 46725NSC46725SCHEMBL1433197DTXSID70286637BWBVCAXBRMQDJU-UHFFFAOYSA-NNSC-46725AKOS011682269Diethyl (naphthalen-1-yl)propanedioate
Show more names
2-NAPHTHALEN-1-YL-MALONIC ACID DIETHYL ESTERPropanedioic acid, 2-(1-naphthalenyl)-, 1,3-diethyl ester
HS-5937Diethyl 2-(naphthalen-1-yl)propanedioateDB-264773
Database identifiers
- CAS
6341-60-2- PubChem CID
- 240505
- DTXSID
DTXSID70286637- Nikkaji
- J1.702.936C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 61.3 °C · 61.3°C
- Boiling point
- 388.69 °C · 388.69°C (rough estimate)
- Density
- 1.1634 · 1.1634 (rough estimate)
- refractive index
- 1.545 · 1.5450 (estimate)
Related reactions
3 records
Compound notes
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