CAS
9005-42-9 Purity
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9005-42-9 Purity
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3-Buten-2-one,4-(1-pyrrolidinyl)-,(3E)-(9ci)
CAS
90054-87-8
Catalog Number
ACM90054878
Category
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- Product Description
- Case Study
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- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula of the compound is C8H13NO.
What is the molecular weight of the compound?
The molecular weight of the compound is 139.19 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (E)-4-pyrrolidin-1-ylbut-3-en-2-one.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC(=O)C=CN1CCCC1.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 0.8
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 20.3 Ų.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound's structure canonicalized?
Yes, the compound's structure is canonicalized.
How many defined bond stereocenter counts does the compound have?
The compound has 1 defined bond stereocenter count.
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