3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid, 95%

Name: 3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid
Brand: Chempure
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CAS Number

1004644-54-5

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IUPAC name	3-(5-methyl-4-nitropyrazol-1-yl)propanoic acid
inchi	InChI=1S/C7H9N3O4/c1-5-6(10(13)14)4-8-9(5)3-2-7(11)12/h4H,2-3H2,1H3,(H,11,12)
inchi key	CWXDCDBVUHQQRI-UHFFFAOYSA-N
molecular formula	C7H9N3O4
synonyms	3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid 1004644-54-5 3-(5-methyl-4-nitropyrazol-1-yl)propanoic acid 3-(5-methyl-4-nitro-pyrazol-1-yl)propanoic Acid 3-(5-Methyl-4-nitro-pyrazol-1-yl)-propionic acid

Computed Properties

Molecular Weight:	199.16 g/mol
XLogP3:	-0.1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	3
Exact Mass:	199.05930578 g/mol
Monoisotopic Mass:	199.05930578 g/mol
Topological Polar Surface Area:	101 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	240
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
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: AX1896

3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid, 95%

Product No: AX1896

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