CAS
9029-47-4 Purity
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9029-47-4 Purity
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2-Pentanone,3-methylene-5-nitro-(9ci)
CAS
90295-84-4
Catalog Number
ACM90295844
Category
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What is the molecular formula of 2-Pentanone,3-methylene-5-nitro-(9ci)?
The molecular formula is C6H9NO3.
When was the PubChem CID 13170144 created and last modified?
It was created on February 8, 2007, and last modified on December 30, 2023.
What is the molecular weight of 2-Pentanone,3-methylene-5-nitro-(9ci)?
The molecular weight is 143.14 g/mol.
What is the computed IUPAC name of the compound?
The computed IUPAC name is 3-methylidene-5-nitropentan-2-one.
What is the Canonical SMILES of 2-Pentanone,3-methylene-5-nitro-(9ci)?
The Canonical SMILES is CC(=O)C(=C)CC[N+](=O)[O-].
How many hydrogen bond acceptors are in the compound?
There are 3 hydrogen bond acceptors.
What is the exact mass of the compound?
The exact mass is 143.058243149 g/mol.
How many rotatable bond counts does 2-Pentanone,3-methylene-5-nitro-(9ci) have?
It has 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 62.9 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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