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5-Methyl-4-(4-methyl-pyrazol-1-ylmethyl)-isoxazole-3-carboxylic acid

CAS
956628-37-8
Catalog Number
ACM956628378
Category
Other Products
Molecular Weight
221.21
Molecular Formula
C10H11N3O3

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Specification

Synonyms
ART-CHEM-BB B024810;5-METHYL-4-[(4-METHYL-1H-PYRAZOL-1-YL)METHYL]ISOXAZOLE-3-CARBOXYLIC ACID;5-METHYL-4-(4-METHYL-PYRAZOL-1-YLMETHYL)-ISOXAZOLE-3-CARBOXYLIC ACID;AKOS B024810;3-isoxazolecarboxylic acid, 5-methyl-4-[(4-methyl-1H-pyraz
What is the molecular formula of the compound?

The molecular formula is C10H11N3O3.

What is the molecular weight of the compound?

The molecular weight is 221.21 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C10H11N3O3/c1-6-3-11-13(4-6)5-8-7(2)16-12-9(8)10(14)15/h3-4H,5H2,1-2H3,(H,14,15).

What is the InChIKey of the compound?

The InChIKey is HOPCBVGVMTZTOG-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1=CN(N=C1)CC2=C(ON=C2C(=O)O).

What is the CAS number of the compound?

The CAS number is 956628-37-8.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 0.9.

How many hydrogen bond donor count does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 5 hydrogen bond acceptor count.

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