1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-methyl-, methyl ester supplier

Name
5-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 51985-95-6
Article Data12
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point 195-200°C
Formula C₆H₈N₂O₃
Boiling Point 330.7 °C at 760 mmHg
Molecular Weight 156.141
Flash Point 153.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl5-hydroxy-1-methyl-3-pyrazolecarboxylate;NSC 338308;
PSA 64.35000
LogP -0.08770

1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-methyl-, methyl ester Specification

The 1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-methyl-, methyl ester, with CAS registry number 51985-95-6, has the systematic name of methyl 5-hydroxy-1-methyl-pyrazole-3-carboxylate. Besides this, it is also called 5-Hydroxy-1-methyl-1h-pyrazole-3-carboxylic acid methyl ester. And the chemical formula of this chemical is C₆H₈N₂O₃.

Physical properties of 1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-methyl-, methyl ester: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 64.35 Å²; (6)Index of Refraction: 1.561; (7)Molar Refractivity: 37.37 cm³; (8)Molar Volume: 115.3 cm³; (9)Polarizability: 14.81×10^-24cm³; (10)Surface Tension: 46.1 dyne/cm; (11)Density: 1.35 g/cm³; (12)Flash Point: 153.8 °C; (13)Enthalpy of Vaporization: 59.61 kJ/mol; (14)Boiling Point: 330.7 °C at 760 mmHg; (15)Vapour Pressure: 8.48E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(O)n(C)n1
(2)InChI: InChI=1/C6H8N2O3/c1-8-5(9)3-4(7-8)6(10)11-2/h3,9H,1-2H3
(3)InChIKey: IWOKRTHKTAEDLP-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H8N2O3/c1-8-5(9)3-4(7-8)6(10)11-2/h3,9H,1-2H3
(5)Std. InChIKey: IWOKRTHKTAEDLP-UHFFFAOYSA-N

Product Name

5-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER

1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-methyl-, methyl ester Specification

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