Basic information
- Standard SMILES
O=C(O)C12CC3CC(O)(C1)CC(C(=O)O)(C3)C2- InChIKey
PZGMISPWPRXBRZ-UHFFFAOYSA-N- Molecular formula
- C12H16O5
- Average molar mass
- 240.25 g/mol
Names & identifiers
- Preferred name
- 5-Hydroxy-1,3-adamantanedicarboxylic acid
- IUPAC
- 5-hydroxyadamantane-1,3-dicarboxylic acid
Names & synonyms
5-hydroxy-1,3-adamantanedicarboxylic acid1,3-dicarboxy-5-adamantanolSCHEMBL1732678PZGMISPWPRXBRZ-UHFFFAOYSA-N1,3-dicarboxy-5-hydroxyadamantane
Database identifiers
- PubChem CID
- 12010644
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Related reactions
6 records
Compound notes
Loading…