CAS
91031-31-1 Purity
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91031-31-1 Purity
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3-Isobutyl-isoxazole-5-carboxylic acid
CAS
910321-93-6
Catalog Number
ACM910321936
Category
Other Products
Molecular Weight
169.18
Molecular Formula
C8H11NO3
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
CHEMBRDG-BB 4012476;3-isobutylisoxazole-5-carboxylic acid;5-isoxazolecarboxylic acid, 3-(2-methylpropyl)-;Albb-009875
What is the molecular formula of 3-Isobutyl-isoxazole-5-carboxylic acid?
The molecular formula of 3-Isobutyl-isoxazole-5-carboxylic acid is C8H11NO3.
When was 3-Isobutyl-isoxazole-5-carboxylic acid first created?
3-Isobutyl-isoxazole-5-carboxylic acid was first created on 2009-04-14.
How is the IUPAC name of 3-Isobutyl-isoxazole-5-carboxylic acid computed?
The IUPAC name of 3-Isobutyl-isoxazole-5-carboxylic acid is computed by LexiChem 2.6.6.
What is the Canonical SMILES representation of 3-Isobutyl-isoxazole-5-carboxylic acid?
The Canonical SMILES representation of 3-Isobutyl-isoxazole-5-carboxylic acid is CC(C)CC1=NOC(=C1)C(=O)O.
What is the XLogP3-AA value for 3-Isobutyl-isoxazole-5-carboxylic acid?
The XLogP3-AA value for 3-Isobutyl-isoxazole-5-carboxylic acid is 1.9.
How many hydrogen bond donor counts does 3-Isobutyl-isoxazole-5-carboxylic acid have?
3-Isobutyl-isoxazole-5-carboxylic acid has 1 hydrogen bond donor count.
What is the topological polar surface area of 3-Isobutyl-isoxazole-5-carboxylic acid?
The topological polar surface area of 3-Isobutyl-isoxazole-5-carboxylic acid is 63.3 Ų.
How many rotatable bond counts does 3-Isobutyl-isoxazole-5-carboxylic acid have?
3-Isobutyl-isoxazole-5-carboxylic acid has 3 rotatable bond counts.
Is 3-Isobutyl-isoxazole-5-carboxylic acid a covalently-bonded unit?
Yes, 3-Isobutyl-isoxazole-5-carboxylic acid is a covalently-bonded unit.
What is the molecular weight of 3-Isobutyl-isoxazole-5-carboxylic acid?
The molecular weight of 3-Isobutyl-isoxazole-5-carboxylic acid is 169.18 g/mol.
Downstream Synthesis Route 1
- 910321-93-6
- 1392517-09-7
Reference: [1]Current Patent Assignee: JOHNSON & JOHNSON INC - US2012/202856, 2012, A1
Downstream Synthesis Route 2
- 910321-93-6
- 1392517-10-0
Reference: [1]Current Patent Assignee: JOHNSON & JOHNSON INC - US2012/202856, 2012, A1
Location in patent: Page/Page column 40
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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