Basic information
- CAS
39251-87-1- Standard SMILES
CCCCCCCOC(=O)c1ccco1- InChIKey
ILSZSJQYHGISIK-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- Furan-2-carboxylic acid heptyl ester
- IUPAC
- heptyl furan-2-carboxylate
Names & synonyms
furan-2-carboxylic acid heptyl esterheptyl furan-2-carboxylateHeptyl 2-furoate #39251-87-1Heptyl 2-furancarboxylateSCHEMBL28227941ILSZSJQYHGISIK-UHFFFAOYSA-NDTXSID7013124452-Furancarboxylic acid, heptyl ester
Database identifiers
- CAS
39251-87-1- PubChem CID
- 565210
- DTXSID
DTXSID701312445- Nikkaji
- J3.489.245H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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