CAS
99210-90-9 Purity
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99210-90-9 Purity
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3,5-Hexadien-2-one,3,5-dimethyl-(9ci)
CAS
99214-84-3
Catalog Number
ACM99214843
Category
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What is the molecular formula of 3,5-Hexadien-2-one,3,5-dimethyl-(9ci)?
The molecular formula is C8H12O.
What is the molecular weight of 3,5-Hexadien-2-one,3,5-dimethyl-(9ci)?
The molecular weight is 124.18 g/mol.
What is the IUPAC Name of 3,5-Hexadien-2-one,3,5-dimethyl-(9ci)?
The IUPAC Name is (3E)-3,5-dimethylhexa-3,5-dien-2-one.
What is the InChI of 3,5-Hexadien-2-one,3,5-dimethyl-(9ci)?
The InChI is InChI=1S/C8H12O/c1-6(2)5-7(3)8(4)9/h5H,1H2,2-4H3/b7-5+.
What is the InChIKey of 3,5-Hexadien-2-one,3,5-dimethyl-(9ci)?
The InChIKey is LLJFBISETFUUPB-FNORWQNLSA-N.
What is the Canonical SMILES of 3,5-Hexadien-2-one,3,5-dimethyl-(9ci)?
The Canonical SMILES is CC(=C)C=C(C)C(=O)C.
What is the Isomeric SMILES of 3,5-Hexadien-2-one,3,5-dimethyl-(9ci)?
The Isomeric SMILES is CC(=C)/C=C(\C)/C(=O)C.
What is the XLogP3-AA value of 3,5-Hexadien-2-one,3,5-dimethyl-(9ci)?
The XLogP3-AA value is 2.2.
How many rotatable bonds are present in 3,5-Hexadien-2-one,3,5-dimethyl-(9ci)?
There are 2 rotatable bonds present.
Is 3,5-Hexadien-2-one,3,5-dimethyl-(9ci) a canonicalized compound?
Yes, it is a canonicalized compound.
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