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872407-85-7

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Basic Information
CAS No.: 872407-85-7
Name: 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzoic acid
Molecular Structure:
Molecular Structure of 872407-85-7 (3-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzoic acid)
Formula: C11H11N3O2
Molecular Weight: 217.227
Synonyms: 3-(5-Amino-3-Methyl-1H-Pyrazol-1-Yl)Benzoic Acid;
Density: 1.36 g/cm3
Boiling Point: 470.1 °C at 760 mmHg
Flash Point: 238.1 °C
PSA: 81.14000
LogP: 2.04230
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Specification

The cas register number of 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzoic acid is 872407-85-7. The Systematic name about this chemical is 3-(5-amino-3-methyl-pyrazol-1-yl)benzoic acid. The Molecular Formula about this chemical is C11H11N3O2.

Physical properties about 3-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzoic acid are: (1)ACD/LogP: 0.97; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 81.14Å2; (6)Index of Refraction: 1.66; (7)Molar Refractivity: 58.58 cm3; (8)Molar Volume: 158.6 cm3; (9)Polarizability: 23.22x10-24cm3; (10)Surface Tension: 56.1 dyne/cm; (11)Flash Point: 238.1 °C; (12)Enthalpy of Vaporization: 77.18 kJ/mol; (13)Boiling Point: 470.1 °C at 760 mmHg; (14)Vapour Pressure: 1.22E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cccc(c1)n2nc(C)cc2N
(2)InChI: InChI=1/C11H11N3O2/c1-7-5-10(12)14(13-7)9-4-2-3-8(6-9)11(15)16/h2-6H,12H2,1H3,(H,15,16)
(3)InChIKey: WYIPQANVZXIEJJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H11N3O2/c1-7-5-10(12)14(13-7)9-4-2-3-8(6-9)11(15)16/h2-6H,12H2,1H3,(H,15,16)
(5)Std. InChIKey: WYIPQANVZXIEJJ-UHFFFAOYSA-N