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Structure

4-Bromo-1,1-(propylenedioxo)-indane

CAS
908334-05-4
Catalog Number
ACM908334054
Category
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What is the molecular formula of the compound?

The molecular formula is C12H13BrO2.

What is the molecular weight of the compound?

The molecular weight is 269.13 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxane].

What is the InChI of the compound?

The InChI is InChI=1S/C12H13BrO2/c13-11-4-1-3-10-9(11)5-6-12(10)14-7-2-8-15-12/h1,3-4H,2,5-8H2.

What is the InChIKey of the compound?

The InChIKey is ZNZMJQVYWVDCLZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1COC2(CCC3=C2C=CC=C3Br)OC1.

What is the CAS number of the compound?

The CAS number is 908334-05-4.

What is the PubChem CID of the compound?

The PubChem CID is 45158899.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.6.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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