2-(4-Acetyl-N-Nitrosoanilino)Acetic Acid
Impurity reference standard
- CAS number
- 84968-84-3
- InChIKey
- RWORSMWSYZMIKJ-UHFFFAOYSA-N
- Molecular formula
- C10H10N2O4
- Molecular weight
- 222.2
- Exact mass
- 222.0641 Da
About 2-(4-Acetyl-N-Nitrosoanilino)Acetic Acid
2-(4-Acetyl-N-Nitrosoanilino)Acetic Acid is supplied as an analytical reference standard. It is registered under CAS number 84968-84-3.
The compound is characterised by its molecular formula C10H10N2O4 and a molecular weight of 222.2, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 222.0641 Da, a calculated LogP of 1.46, a topological polar surface area of 87.04 Ų. It presents 1 hydrogen-bond donor and 4 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 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)
- 1.46
- Topological polar surface area
- 87.04 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Rings
- 1
- Elemental composition
- C 54.05% · H 4.54% · N 12.61% · O 28.80%
Frequently asked questions
Does 2-(4-Acetyl-N-Nitrosoanilino)Acetic 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 2-(4-Acetyl-N-Nitrosoanilino)Acetic Acid uniquely identified?
The InChIKey RWORSMWSYZMIKJ-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 2-(4-Acetyl-N-Nitrosoanilino)Acetic 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 2-(4-Acetyl-N-Nitrosoanilino)Acetic 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.