Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCC(C(=O)O)(C(=O)O)c1ccccc1- InChIKey
PZLHKRKETCFIJP-UHFFFAOYSA-N- Molecular formula
- C25H40O4
- Average molar mass
- 404.6 g/mol
Names & identifiers
- Preferred name
- Carboxyphenylstearic acid
- IUPAC
- 2-hexadecyl-2-phenylpropanedioic acid
Names & synonyms
carboxyphenylstearic acidSCHEMBL11291699PZLHKRKETCFIJP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 70555697
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 426
Related reactions
2 records
Linked notes
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