CAS
96219-81-7 Purity
96%
96219-81-7 Purity
96%
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1,3-Benzodioxole-5-propanenitrile,b-oxo-
CAS
96220-14-3
Catalog Number
ACM96220143
Category
Other Products
Molecular Weight
189.17
Molecular Formula
C10H7NO3
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What is the molecular formula of 1,3-Benzodioxole-5-propanenitrile?
The molecular formula is C10H7NO3.
What is the molecular weight of 1,3-Benzodioxole-5-propanenitrile?
The molecular weight is 189.17 g/mol.
What is the IUPAC name of 1,3-Benzodioxole-5-propanenitrile?
The IUPAC name is 3-(1,3-benzodioxol-5-yl)-3-oxopropanenitrile.
What is the InChI representation of 1,3-Benzodioxole-5-propanenitrile?
InChI=1S/C10H7NO3/c11-4-3-8(12)7-1-2-9-10(5-7)14-6-13-9/h1-2,5H,3,6H2
What is the InChIKey of 1,3-Benzodioxole-5-propanenitrile?
The InChIKey is WSZFLWZOMWQGPD-UHFFFAOYSA-N.
How many rotatable bond counts does 1,3-Benzodioxole-5-propanenitrile have?
It has 2 rotatable bond counts.
What is the topological polar surface area of 1,3-Benzodioxole-5-propanenitrile?
The topological polar surface area is 59.3 Ų.
Is 1,3-Benzodioxole-5-propanenitrile a covalently bonded unit?
Yes, it is a covalently bonded unit.
What is the exact mass of 1,3-Benzodioxole-5-propanenitrile?
The exact mass is 189.042593085 g/mol.
How many hydrogen bond acceptors does 1,3-Benzodioxole-5-propanenitrile have?
It has 4 hydrogen bond acceptor counts.
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