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The molecular formula of 2-Ethylheptyl isobutyrate is C13H26O2.
The molecular weight of 2-Ethylheptyl isobutyrate is 214.34 g/mol.
The IUPAC name of 2-Ethylheptyl isobutyrate is 2-ethylheptyl 2-methylpropanoate.
The Canonical SMILES representation of 2-Ethylheptyl isobutyrate is CCCCCC(CC)COC(=O)C(C)C.
The InChIKey of 2-Ethylheptyl isobutyrate is WTUQRNIKYKFKCP-UHFFFAOYSA-N.
2-Ethylheptyl isobutyrate has 2 hydrogen bond acceptors.
The topological polar surface area of 2-Ethylheptyl isobutyrate is 26.3 Å^2.
No, 2-Ethylheptyl isobutyrate does not contain any defined atom stereocenters.
The rotatable bond count of 2-Ethylheptyl isobutyrate is 9.
Yes, 2-Ethylheptyl isobutyrate is a canonicalized compound.
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