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1H-Pyrazole-4-carboxylicacid, 1-(1-methylethyl)-

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Name

1H-Pyrazole-4-carboxylicacid, 1-(1-methylethyl)-

EINECS N/A
CAS No. 436096-96-7 Density 1.23±0.1 g/cm3(Predicted)
PSA 55.12000 LogP 1.16220
Solubility N/A Melting Point N/A
Formula C7H10N2O2 Boiling Point 297.2°C at 760 mmHg
Molecular Weight 154.169 Flash Point 133.5°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 436096-96-7 (1-ISOPROPYL-1H-PYRAZOLE-4-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

1-Isopropyl-1H-pyrazole-4-carboxylic acid;1-(Propan-2-yl)-1H-pyrazole-4-carboxylic acid;

 

1H-Pyrazole-4-carboxylicacid, 1-(1-methylethyl)- Specification

The 1H-Pyrazole-4-carboxylicacid, 1-(1-methylethyl)-, with the CAS registry number 436096-96-7, is also known as 1-Isopropyl-1H-pyrazole-4-carboxylic acid. It belongs to the product categories of Isopropyl; Carboxylicacid. This chemical's molecular formula is C7H10N2O2 and molecular weight is 154.17. What's more, its systematic name is 1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes. 

Physical properties of 1H-Pyrazole-4-carboxylicacid, 1-(1-methylethyl)- are: (1)ACD/LogP: 0.722; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)#H bond donors: 1; (5)Polar Surface Area: 44.12.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cn(nc1)C(C)C
(2)Std. InChI: InChI=1S/C7H10N2O2/c1-5(2)9-4-6(3-8-9)7(10)11/h3-5H,1-2H3,(H,10,11)
(3)Std. InChIKey: VGEBYDKBJHWBGS-UHFFFAOYSA-N

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