1H-Pyrazole-3-carboxylicacid, 5-(3-hydroxyphenyl)- supplier

Name
5-(3-HYDROXY-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 690631-98-2
Density 1.487 g/cm³
Solubility
Melting Point 256 °C
Formula C₁₀H₈N₂O₃
Boiling Point 597.7 °C at 760 mmHg
Molecular Weight 204.18
Flash Point 315.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(3-Hydroxy-phenyl)-1H-pyrazole-3-carboxylic acid;3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid;
PSA 86.21000
LogP 1.48050

1H-Pyrazole-3-carboxylicacid, 5-(3-hydroxyphenyl)- Specification

The 1H-Pyrazole-3-carboxylicacid, 5-(3-hydroxyphenyl)-, with the CAS registry number 690631-98-2, is also known as 5-(3-Hydroxy-phenyl)-1H-pyrazole-3-carboxylic acid. This chemical's molecular formula is C₁₀H₈N₂O₃ and formula weight is 204.18. What's more, its IUPAC name is 3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.

Physical properties of 1H-Pyrazole-3-carboxylicacid, 5-(3-hydroxyphenyl)- are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1.61 ; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 53.35 Å²; (11)Index of Refraction: 1.685; (12)Molar Refractivity: 52.18 cm³; (13)Molar Volume: 137.2 cm³; (14)Surface Tension: 80.8 dyne/cm; (15)Density: 1.487 g/cm³; (16)Flash Point: 315.3 °C; (17)Enthalpy of Vaporization: 93.61 kJ/mol; (18)Boiling Point: 597.7 °C at 760 mmHg; (19)Vapour Pressure: 3.92E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(nn1)c2cc(O)ccc2
(2)InChI: InChI=1S/C10H8N2O3/c13-7-3-1-2-6(4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15)
(3)InChIKey: KOWRVFWZCLHEIU-UHFFFAOYSA-N

Product Name

5-(3-HYDROXY-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID

1H-Pyrazole-3-carboxylicacid, 5-(3-hydroxyphenyl)- Specification

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