CAS
94022-53-4 Purity
96%
94022-53-4 Purity
96%
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Specification
The molecular formula is C13H22O2.
It was created on 2009-08-20.
The IUPAC Name is 1-(2-bicyclo[2.2.1]heptanyl)ethyl butanoate.
The Canonical SMILES is CCCC(=O)OC(C)C1CC2CCC1C2.
The molecular weight is 210.31 g/mol.
There are 2 hydrogen bond acceptors.
The XLogP3-AA value is 3.7.
There are 5 rotatable bond counts.
Yes, it is a canonicalized compound.
The topological polar surface area is 26.3 Ų.