Basic information
- CAS
20717-19-5- Standard SMILES
CCC(C)(C)c1ccc(C)c(C(=O)O)c1O- InChIKey
GTCQVVDGRZVROE-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-tert-pentyl-
- IUPAC
- 2-hydroxy-6-methyl-3-(2-methylbutan-2-yl)benzoic acid
Names & synonyms
2,6-CRESOTIC ACID, 3-tert-PENTYL-BRN 28455703-tert-Pentyl-2,6-cresotic acid2-Methyl-5-tert-amylsalicylic acid20717-19-5DTXSID40174779RefChem:248076DTXCID7097270SCHEMBL92493612-hydroxy-6-methyl-3-(2-methylbutan-2-yl)benzoic acid
Database identifiers
- CAS
20717-19-5- PubChem CID
- 30237
- DTXSID
DTXSID40174779
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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