Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-methyl-, methyl ester |
EINECS | N/A |
CAS No. | 51985-95-6 | Density | 1.35 g/cm3 |
PSA | 64.35000 | LogP | -0.08770 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl5-hydroxy-1-methyl-3-pyrazolecarboxylate;NSC 338308; |
Article Data | 12 |
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