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Structure

2-Phenyl-d5-propane

CAS
97095-85-7
Catalog Number
ACM97095857
Category
Other Products
Molecular Weight
125.22
Molecular Formula
C6D5CH(CH3)2

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Specification

Synonyms
Cumene; Isopropylbenzene; (1-Methylethyl)benzene
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
What is the molecular formula of 2-PHENYL-D5-PROPANE?

The molecular formula of 2-PHENYL-D5-PROPANE is C9H12.

What is the molecular weight of 2-PHENYL-D5-PROPANE?

The molecular weight of 2-PHENYL-D5-PROPANE is 125.22 g/mol.

What is the IUPAC name of 2-PHENYL-D5-PROPANE?

The IUPAC name of 2-PHENYL-D5-PROPANE is 1,2,3,4,5-pentadeuterio-6-propan-2-ylbenzene.

What is the InChI of 2-PHENYL-D5-PROPANE?

The InChI of 2-PHENYL-D5-PROPANE is InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3/i3D,4D,5D,6D,7D.

What is the InChIKey of 2-PHENYL-D5-PROPANE?

The InChIKey of 2-PHENYL-D5-PROPANE is RWGFKTVRMDUZSP-DKFMXDSJSA-N.

What is the canonical SMILES of 2-PHENYL-D5-PROPANE?

The canonical SMILES of 2-PHENYL-D5-PROPANE is CC(C)C1=CC=CC=C1.

What is the isomeric SMILES of 2-PHENYL-D5-PROPANE?

The isomeric SMILES of 2-PHENYL-D5-PROPANE is [2H]C1=C(C(=C(C(=C1[2H])[2H])C(C)C)[2H])[2H].

What is the XLogP3 value of 2-PHENYL-D5-PROPANE?

The XLogP3 value of 2-PHENYL-D5-PROPANE is 3.7.

How many rotatable bonds are there in 2-PHENYL-D5-PROPANE?

There is 1 rotatable bond in 2-PHENYL-D5-PROPANE.

Is 2-PHENYL-D5-PROPANE a canonicalized compound?

Yes, 2-PHENYL-D5-PROPANE is a canonicalized compound.

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