Basic information
- CAS
33975-31-4- Standard SMILES
CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2=O- InChIKey
BMHRRTHNGNXZRJ-UHFFFAOYSA-N- Molecular formula
- C19H24O5
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.16237386
Names & identifiers
- Preferred name
- Decyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate
- IUPAC
- decyl 1,3-dioxo-2-benzofuran-5-carboxylate
- English name
- 1,3-Dioxoisobenzofuran-5-carboxylic acid decyl ester
- Molecular formula
- C19H24O5
- Molecular weight
- 332.39
Names & synonyms
Decyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylateDTXSID7033690433975-31-4RefChem:336759DTXCID202879921,3-Dioxoisobenzofuran-5-carboxylic acid decyl esterBMHRRTHNGNXZRJ-UHFFFAOYSA-N1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, decyl esterDecyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate #5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, decyl ester
Database identifiers
- CAS
33975-31-4- PubChem CID
- 537177
- DTXSID
DTXSID70336904- Nikkaji
- J145.735G
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 475.8 · 475.8±28.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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