CAS
82161-76-0 Purity
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82161-76-0 Purity
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Specification
The molecular formula is C13H22O2.
The molecular weight is 210.31 g/mol.
The IUPAC name is (4-tert-butylcyclohexyl) prop-2-enoate.
The InChI is InChI=1S/C13H22O2/c1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4/h5,10-11H,1,6-9H2,2-4H3.
The InChIKey is LAIJAUHBAWLPCO-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)C1CCC(CC1)OC(=O)C=C.
The CAS number is 84100-23-2.
The XLogP3-AA value is 4.
It has 0 hydrogen bond donor counts.
It has 4 rotatable bond counts.