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

Name: 3-(3-nitro-1H-pyrazol-1-yl)propanoic acid
Brand: Chempure

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CAS Number

1004644-63-6

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IUPAC name	3-(3-nitropyrazol-1-yl)propanoic acid
inchi	InChI=1S/C6H7N3O4/c10-6(11)2-4-8-3-1-5(7-8)9(12)13/h1,3H,2,4H2,(H,10,11)
inchi key	AFWPVKFJLIAARM-UHFFFAOYSA-N
molecular formula	C6H7N3O4
synonyms	3-(3-nitro-1H-pyrazol-1-yl)propanoic acid 1004644-63-6 3-(3-nitropyrazol-1-yl)propanoic Acid MFCD03419659 3-(3-Nitro-pyrazol-1-yl)-propionic acid

Computed Properties

Molecular Weight:	185.14 g/mol
XLogP3:	-0.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	3
Exact Mass:	185.04365571 g/mol
Monoisotopic Mass:	185.04365571 g/mol
Topological Polar Surface Area:	101 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	214
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: AX1903

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

Product No: AX1903

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