Basic information
- Standard SMILES
CC(=O)c1ccc(OC(C)C)c(C(=O)O)c1- InChIKey
VJOUVTWWTGQTQA-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
Names & identifiers
- Preferred name
- 5-Acetyl-2-isopropoxy-benzoic acid
- IUPAC
- 5-acetyl-2-propan-2-yloxybenzoic acid
Names & synonyms
845617-89-2SCHEMBL4424941VJOUVTWWTGQTQA-UHFFFAOYSA-N5-Acetyl-2-isopropoxy-benzoic acidDB-090863
Database identifiers
- PubChem CID
- 69038697
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
3 records
Compound notes
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