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845826-92-8

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Basic Information
CAS No.: 845826-92-8
Name: 4-(5-Methyl-2-pyridinyl)benzoic acid
Molecular Structure:
Molecular Structure of 845826-92-8 (4-(5-Methyl-2-pyridinyl)benzoic acid)
Formula: C13H11 N O2
Molecular Weight: 213.23
Synonyms: 4-(5-METHYL-2-PYRIDINYL)-BENZOIC ACID;4-(4-Methylpyridin-2-yl)benzoic acid;4-(5-Methylpyridin-2-yl)benzoic acid
Density: 1.206g/cm3
Boiling Point: 398.3ºC at 760 mmHg
Flash Point: 194.7ºC
PSA: 50.19000
LogP: 2.75520
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Chemistry

Molecular Structure of 4-(5-Methyl-2-pyridinyl)benzoic acid (CAS No.845826-92-8):

Molecular Formula: C13H11NO2 
Molecular Weight: 213.2319
CAS No: 845826-92-8
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 50.19 Å2
Index of Refraction: 1.602
Molar Refractivity: 60.69 cm3
Molar Volume: 176.7 cm3
Surface Tension: 51.9 dyne/cm
Density: 1.206 g/cm3
Flash Point: 194.7 °C
Enthalpy of Vaporization: 68.43 kJ/mol
Boiling Point: 398.3 °C at 760 mmHg
Vapour Pressure: 4.65E-07 mmHg at 25°C
Systematic Name: 4-(5-Methylpyridin-2-yl)benzoic acid
InChI: InChI=1/C13H11NO2/c1-9-2-7-12(14-8-9)10-3-5-11(6-4-10)13(15)16/h2-8H,1H3,(H,15,16)
InChIKey: DYFJYHZDJPICHF-UHFFFAOYAB
Std. InChI: InChI=1S/C13H11NO2/c1-9-2-7-12(14-8-9)10-3-5-11(6-4-10)13(15)16/h2-8H,1H3,(H,15,16)
Std. InChIKey: DYFJYHZDJPICHF-UHFFFAOYSA-N

Specification

  4-(5-Methyl-2-pyridinyl)benzoic acid (CAS No.845826-92-8), its synonyms are 4-(5-Methylpyridin-2-yl)benzoic acid ; Benzoic acid, 4-(5-methyl-2-pyridinyl)- .