Basic information
- Standard SMILES
CCCCOc1cccc(C(=O)O)c1CCO- InChIKey
KZJVPBIXZIBQBD-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- Butoxy-2-(2-hydroxyethyl)benzoic acid
- IUPAC
- 3-butoxy-2-(2-hydroxyethyl)benzoic acid
Names & synonyms
SCHEMBL4119759KZJVPBIXZIBQBD-UHFFFAOYSA-NButoxy-2-(2-hydroxyethyl)benzoic acid
Database identifiers
- PubChem CID
- 68919863
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Related reactions
1 records
Compound notes
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