3-(4-Methoxy-3-methylphenyl)-3-methylbutanoic acid
Impurity reference standard
- CAS number
- 613678-14-1
- InChIKey
- VNXBMAJAOYPLGV-UHFFFAOYSA-N
- Molecular formula
- C11H20N2O
- Molecular weight
- 196.29
- Exact mass
- 196.1576 Da
- Purity
- 95%+
About 3-(4-Methoxy-3-methylphenyl)-3-methylbutanoic acid
3-(4-Methoxy-3-methylphenyl)-3-methylbutanoic acid is supplied as an analytical reference standard. It is registered under CAS number 613678-14-1.
The compound is characterised by its molecular formula C11H20N2O and a molecular weight of 196.29, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 196.1576 Da, a calculated LogP of 0.95, a topological polar surface area of 23.55 Ų. It presents 0 hydrogen-bond donors and 2 acceptors. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis reporting purity of 95%+ together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- 0.95
- Topological polar surface area
- 23.55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Rings
- 2
- Elemental composition
- C 67.31% · H 10.27% · N 14.27% · O 8.15%
Frequently asked questions
What purity does 3-(4-Methoxy-3-methylphenyl)-3-methylbutanoic acid ship at?
3-(4-Methoxy-3-methylphenyl)-3-methylbutanoic acid is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 3-(4-Methoxy-3-methylphenyl)-3-methylbutanoic acid come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is 3-(4-Methoxy-3-methylphenyl)-3-methylbutanoic acid uniquely identified?
The InChIKey VNXBMAJAOYPLGV-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for 3-(4-Methoxy-3-methylphenyl)-3-methylbutanoic acid?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for 3-(4-Methoxy-3-methylphenyl)-3-methylbutanoic acid?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.