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Structure

Styrene,butadiene,divinylbenzene

CAS
9052-84-0
Catalog Number
ACM9052840
Category
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What is the molecular formula of the compound?

The molecular formula of the compound is C22H20.

What is the molecular weight of the compound?

The molecular weight of the compound is 284.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-[(1E)-buta-1,3-dienyl]-3,4-bis(ethenyl)-2-[(E)-2-phenylethenyl]benzene.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C22H20/c1-4-7-13-20-16-15-19(5-2)21(6-3)22(20)17-14-18-11-9-8-10-12-18/h4-17H,1-3H2/b13-7+,17-14+.

What is the InChIKey of the compound?

The InChIKey of the compound is RMCJTQBFLGKYFS-OHGNNXCFSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C=CC=CC1=C(C(=C(C=C1)C=C)C=C)C=CC2=CC=CC=C2.

What is the isomeric SMILES of the compound?

The isomeric SMILES of the compound is C=C/C=C/C1=C(C(=C(C=C1)C=C)C=C)/C=C/C2=CC=CC=C2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 7.2.

How many rotatable bonds does the compound have?

The compound has 6 rotatable bonds.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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