Basic information
- CAS
68442-70-6- Standard SMILES
CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.O=C(O)c1ccccc1C(=O)O- InChIKey
LIQNHLWRKRZUFV-UHFFFAOYSA-N- Molecular formula
- C42H74O8
- Average molar mass
- 707 g/mol
- Monoisotopic mass
- 706.53836931
Names & identifiers
- Preferred name
- Hexadecanoic acid;octadecanoic acid;phthalic acid
- IUPAC
- hexadecanoic acid;octadecanoic acid;phthalic acid
Database identifiers
- CAS
68442-70-6- PubChem CID
- 110264
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 32
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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