Basic information
- Standard SMILES
Cc1cc(C(=O)O)ccc1OCC(C)(C)O- InChIKey
QRAYCJDOSLKHBG-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
Names & identifiers
- Preferred name
- 4-(2-Hydroxy-2-methylpropoxy)-3-methylbenzoic acid
- IUPAC
- 4-(2-hydroxy-2-methylpropoxy)-3-methylbenzoic acid
Names & synonyms
4-(2-hydroxy-2-methylpropoxy)-3-methylbenzoic acid1392466-98-64-(2-hydroxy-2-methyl-propoxy)-3-methyl-benzoic acidSCHEMBL11894183QRAYCJDOSLKHBG-UHFFFAOYSA-NDB-128500A1-09185
Database identifiers
- PubChem CID
- 68153404
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
2 records
Compound notes
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