Basic information
- CAS
55683-10-8- Standard SMILES
Cc1cc(C)c(C)c(CCC(=O)O)c1C- InChIKey
NRZIBHXUIOUVDC-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 3-(2,3,5,6-Tetramethylphenyl)propanoic acid
- IUPAC
- 3-(2,3,5,6-tetramethylphenyl)propanoic acid
Names & synonyms
3-(2,3,5,6-tetramethylphenyl)propanoic acidTETRAMETHYLBENZENE PROPANOIC ACIDDTXSID60971040
Database identifiers
- CAS
55683-10-8- PubChem CID
- 41519
- DTXSID
DTXSID60971040
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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