--- Purity
---
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula of Ethyl 2,4,5-trimethylbenzoylformate is C13H16O3.
Ethyl 2,4,5-trimethylbenzoylformate was created on 2008-02-29 and modified on 2023-11-25.
The IUPAC name of Ethyl 2,4,5-trimethylbenzoylformate is ethyl 2-oxo-2-(2,4,5-trimethylphenyl)acetate.
The InChI key of Ethyl 2,4,5-trimethylbenzoylformate is PAYYIZNLYOSVAN-UHFFFAOYSA-N.
The canonical SMILES representation of Ethyl 2,4,5-trimethylbenzoylformate is CCOC(=O)C(=O)C1=C(C=C(C(=C1)C)C)C.
The CAS number of Ethyl 2,4,5-trimethylbenzoylformate is 80120-34-9.
The molecular weight of Ethyl 2,4,5-trimethylbenzoylformate is 220.26 g/mol.
There are three hydrogen bond acceptor counts in Ethyl 2,4,5-trimethylbenzoylformate.
The topological polar surface area of Ethyl 2,4,5-trimethylbenzoylformate is 43.4 Ų.
Yes, Ethyl 2,4,5-trimethylbenzoylformate is a canonicalized compound.