Basic information
- Standard SMILES
Cc1ccccc1C(O)CCCC(=O)[O-]- InChIKey
ZDNZBMWAJSEHEN-UHFFFAOYSA-M- Molecular formula
- C12H15O3-
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.10211934
Names & identifiers
- Preferred name
- 5-Hydroxy-5-(2-methylphenyl)pentanoate
- IUPAC
- 5-hydroxy-5-(2-methylphenyl)pentanoate
Database identifiers
- PubChem CID
- 22010264
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 198
Related reactions
1 records
Compound notes
Loading…