Basic information
- CAS
3143-06-4- Standard SMILES
CCCOC(=O)c1cccc(C(=O)OCCC)c1- InChIKey
FZNKCFJDFGDMKU-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- Isophthalic acid, dipropyl ester
- IUPAC
- dipropyl benzene-1,3-dicarboxylate
- English name
- Isophthalic acid dipropyl ester
- Molecular weight
- 0
Names & synonyms
Dipropyl isophthalateISOPHTHALIC ACID, DIPROPYL ESTERBRN 2121198DTXSID50185351RefChem:149741DTXCID601078421,3-Benzenedicarboxylic acid, bis(1-methylethyl) esterFZNKCFJDFGDMKU-UHFFFAOYSA-N3143-06-4propyl 3-(propoxycarbonyl)benzoateIsophthalic acid dipropyl esterdipropyl benzene-1,3-dicarboxylate
Show more names
SCHEMBL111664SCHEMBL6948522SCHEMBL6950385SBB060843AKOS024390899ST51046943
Database identifiers
- CAS
3143-06-4- PubChem CID
- 18459
- DTXSID
DTXSID50185351- Nikkaji
- J68.821E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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