CAS
92865-60-6 Purity
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92865-60-6 Purity
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Specification
The molecular formula is C9H14.
The molecular weight is 122.21 g/mol.
The IUPAC name is (3E)-2,6-dimethylhepta-1,3,6-triene.
The InChI code is InChI=1S/C9H14/c1-8(2)6-5-7-9(3)4/h5-6H,1,3,7H2,2,4H3/b6-5+.
The InChIKey is BEVRACFYDJMTEY-AATRIKPKSA-N.
The canonical SMILES is CC(=C)CC=CC(=C)C.
It has 0 hydrogen bond donor counts.
It has 0 hydrogen bond acceptor counts.
It has 3 rotatable bond counts.
Yes, it is a canonicalized compound.