Basic information
- Standard SMILES
CC12CC3(C)CC(c4ccc(C(=O)O)cc4)(C1)CC(c1ccc(C(=O)O)cc1)(C2)C3- InChIKey
FXMVIRKZOLLMCR-UHFFFAOYSA-N- Molecular formula
- C26H28O4
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- 1,3-Di(4-carboxyphenyl)-5,7-dimethyl adamantane
- IUPAC
- 4-[3-(4-carboxyphenyl)-5,7-dimethyl-1-adamantyl]benzoic acid
Names & synonyms
SCHEMBL11550092FXMVIRKZOLLMCR-UHFFFAOYSA-N1,3-di(4-carboxyphenyl)-5,7-dimethyl adamantane
Database identifiers
- PubChem CID
- 21331007
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 651
Related reactions
1 records
Compound notes
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