Name: Name:5-Methyl-4-[(4-methyl-1h-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid
Brand: Angene
SKU: AG00IJBK
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5-Methyl-4-[(4-methyl-1h-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid

CAS No.:

956628-37-8

Catalog Number:

AG00IJBK

Molecular Formula:

C10H11N3O3

Molecular Weight:

221.2126

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Catalog Number:

AG00IJBK

Chemical Name:

5-Methyl-4-[(4-methyl-1h-pyrazol-1-yl)methyl]isoxazole-3-carboxylic acid

CAS Number:

956628-37-8

Molecular Formula:

C10H11N3O3

Molecular Weight:

221.2126

MDL Number:

MFCD06805585

IUPAC Name:

5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

InChI:

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)

InChI Key:

HOPCBVGVMTZTOG-UHFFFAOYSA-N

SMILES:

Cc1cnn(c1)Cc1c(C)onc1C(=O)O

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.216g/mol

Monoisotopic Mass:

221.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9