CAS
957510-90-6 Purity
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957510-90-6 Purity
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4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-5-methylisoxazole-3-carboxylic acid
CAS
957514-12-4
Catalog Number
ACM957514124
Category
Other Products
Molecular Weight
235.24
Molecular Formula
C11H13N3O3
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Specification
Synonyms
TIMTEC-BB SBB009710;ART-CHEM-BB B024811;4-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-5-METHYLISOXAZOLE-3-CARBOXYLIC ACID;AKOS B024811;AKOS PAO-0067;4-(3,5-Dimethyl-pyrazol-1-ylmethyl)-5-methyl-isoxazole-3-carboxylic acid
What is the molecular formula of the compound?
The molecular formula of the compound is C11H13N3O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 235.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation of the compound is CC1=CC(=NN1CC2=C(ON=C2C(=O)O)C)C.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.3.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 81.2 Ų.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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