2-(4-Methylphenyl)propane-d14

• CAS: 93952-03-5
• Catalog Number: ACM93952035
• Category: Other Products
• Molecular Weight: 148.31
• Molecular Formula: CD3C6D4CD(CD3)2
• Synonyms: p-Cymene; 1-Methyl-4-isopropylbenzene; iso-Propyltoluene
• Functional Group: Hydrocarbons - Other Aromatic
• Packaging: 0.5 g; In Stock; 1 g; In Stock
• Stability: Stable if stored under recommended conditions (see section 7 of SDS). After three years, the compound should be re-analyzed for chemical purity before use.
• Storage Conditions: Store at room temperature

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C10H14.

What is the computed IUPAC name of the compound?

The computed IUPAC name is 1,2,4,5-tetradeuterio-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-(trideuteriomethyl)benzene.

What is the InChI of the compound?

The InChI is InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3/i1D3,2D3,3D3,4D,5D,6D,7D,8D.

What is the InChIKey of the compound?

The InChIKey is HFPZCAJZSCWRBC-UYAILFBOSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1=CC=C(C=C1)C(C)C.

What is the isomeric SMILES of the compound?

The isomeric SMILES is [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H].

What is the molecular weight of the compound?

The molecular weight is 148.30 g/mol.

What is the XLogP3 value of the compound?

The XLogP3 value is 4.1.

How many rotatable bonds are in the compound?

There is 1 rotatable bond in the compound.

Is the compound a canonicalized compound?

Yes, the compound is canonicalized.