2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid, 95%

Name: 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
Brand: Chempure

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CAS Number

1005577-15-0

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IUPAC name	2-(5-methyl-3-nitropyrazol-1-yl)butanoic acid
inchi	InChI=1S/C8H11N3O4/c1-3-6(8(12)13)10-5(2)4-7(9-10)11(14)15/h4,6H,3H2,1-2H3,(H,12,13)
inchi key	PLDJFKIGCVPYLK-UHFFFAOYSA-N
molecular formula	C8H11N3O4
synonyms	2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid 1005577-15-0 2-(5-methyl-3-nitropyrazol-1-yl)butanoic acid 2-(5-Methyl-3-nitro-pyrazol-1-yl)-butyric acid BBL039018

Computed Properties

Molecular Weight:	213.19 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	3
Exact Mass:	213.07495584 g/mol
Monoisotopic Mass:	213.07495584 g/mol
Topological Polar Surface Area:	101 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	265
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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Product No: AX2195

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid, 95%

Product No: AX2195

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