Basic information
- CAS
20717-17-3- Standard SMILES
Cc1ccc(C(C)C(C)C)c(O)c1C(=O)O- InChIKey
PGRPMFNLCROCLI-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- 2,6-Cresotic acid, 3-(1,2-dimethylpropyl)-
- IUPAC
- 2-hydroxy-6-methyl-3-(3-methylbutan-2-yl)benzoic acid
Names & synonyms
2,6-CRESOTIC ACID, 3-(1,2-DIMETHYLPROPYL)-20717-17-3RefChem:10602212-Methyl-5-(2-(3-methylbutyl))salicylic acidBRN 28402333-(1,2-Dimethylpropyl)-2,6-cresotic acid2-hydroxy-6-methyl-3-(3-methylbutan-2-yl)benzoic acidDTXSID50942926
Database identifiers
- CAS
20717-17-3- PubChem CID
- 30236
- DTXSID
DTXSID50942926
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…