CAS
908333-98-2 Purity
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908333-98-2 Purity
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4-Bromo-7-methyl-1,1-(propylenedioxo)-indane
CAS
908334-01-0
Catalog Number
ACM908334010
Category
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- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula is C13H15BrO2.
What is the molecular weight of the compound?
The molecular weight is 283.16 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 7-bromo-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxane].
What is the InChI of the compound?
The InChI is InChI=1S/C13H15BrO2/c1-9-3-4-11(14)10-5-6-13(12(9)10)15-7-2-8-16-13/h3-4H,2,5-8H2,1H3.
What is the InChIKey of the compound?
The InChIKey is KMTMBDIJDWFGOP-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC1=C2C(=C(C=C1)Br)CCC23OCCCO3.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 0 rotatable bond counts.
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