CAS No.174891-10-2,(5-AMINO-2H-PYRAZOL-3-YL)-ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	174891-10-2
Name:	(5-AMINO-2H-PYRAZOL-3-YL)-ACETIC ACID

Formula:	C₅H₇N₃O₂
Molecular Weight:	141.129
Synonyms:	(3-Amino-1H-pyrazol-5-yl)acetic acid;(5-Amino-1H-pyrazol-3-yl)acetic acid;2-(3-Amino-1H-pyrazol-5-yl)acetic acid;
EINECS:	674-599-8
Density:	1.555 g/cm³
Boiling Point:	504.4 °C at 760 mmHg
Flash Point:	258.8 °C
PSA:	92.00000
LogP:	0.20020

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Specification

The 1H-Pyrazole-3-aceticacid, 5-amino-, with the CAS registry number 174891-10-2, is also known as (3-Amino-1H-pyrazol-5-yl)acetic acid. This chemical's molecular formula is C₅H₇N₃O₂ and molecular weight is 141.13. What's more, its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)acetic acid.

Physical properties of 1H-Pyrazole-3-aceticacid, 5-amino- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 92 Å²; (10)Index of Refraction: 1.676; (11)Molar Refractivity: 34.12 cm³; (12)Molar Volume: 90.7 cm³; (13)Polarizability: 13.52×10^-24cm³; (14)Surface Tension: 97.8 dyne/cm; (15)Density: 1.555 g/cm³; (16)Flash Point: 258.8 °C; (17)Enthalpy of Vaporization: 81.48 kJ/mol; (18)Boiling Point: 504.4 °C at 760 mmHg; (19)Vapour Pressure: 5.4E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(CC(=O)O)nn1
(2)Std. InChI: InChI=1S/C5H7N3O2/c6-4-1-3(7-8-4)2-5(9)10/h1H,2H2,(H,9,10)(H3,6,7,8)
(3)Std. InChIKey: WROZCSTUPGWSLS-UHFFFAOYSA-N