1,4-Bis(propyloxy)-2,3-naphthalenedicarboxylic acid
Basic information
- Standard SMILES
CCCOc1c(C(=O)O)c(C(=O)O)c(OCCC)c2ccccc12- InChIKey
AHZLRVNJPSNBJN-UHFFFAOYSA-N- Molecular formula
- C18H20O6
- Average molar mass
- 332.3 g/mol
Names & identifiers
- Preferred name
- 1,4-Bis(propyloxy)-2,3-naphthalenedicarboxylic acid
- IUPAC
- 1,4-dipropoxynaphthalene-2,3-dicarboxylic acid
Names & synonyms
SCHEMBL2297210AHZLRVNJPSNBJN-UHFFFAOYSA-N1,4-Bis(propyloxy)-2,3-naphthalenedicarboxylic acid
Database identifiers
- PubChem CID
- 21079330
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
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Related reactions
2 records
Compound notes
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