2-Dodecoxycarbonylterephthalic acid
Basic information
- CAS
68084-57-1- Standard SMILES
CCCCCCCCCCCCOC(=O)c1cc(C(=O)O)ccc1C(=O)O- InChIKey
OBSJGKJRKWMFSF-UHFFFAOYSA-N- Molecular formula
- C21H30O6
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.20423867
Names & identifiers
- Preferred name
- 2-Dodecoxycarbonylterephthalic acid
- IUPAC
- 2-dodecoxycarbonylterephthalic acid
Database identifiers
- CAS
68084-57-1- PubChem CID
- 106568
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 462
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Compound notes
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