5-Ethylisophthalaldehyde
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Basic information
- CAS
118792-76-0- Standard SMILES
CCc1cc(C=O)cc(C=O)c1- InChIKey
LNHAIXPLVNAAFN-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
Names & identifiers
- Preferred name
- 5-Ethylisophthalaldehyde
- IUPAC
- 5-ethylbenzene-1,3-dicarbaldehyde
- English name
- 5-ethylisophthalaldehyde
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
5-ETHYLISOPHTHALALDEHYDE118792-76-0SCHEMBL14030081MFCD24681024C909071,3-Benzenedicarboxaldehyde, 5-ethyl-
Database identifiers
- CAS
118792-76-0
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 286.7 · 286.7±40.0 °C(Predicted)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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