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CAS No.: | 819850-15-2 |
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Name: | 2-METHYL-3-PYRIMIDIN-4-YL-PROPIONIC ACID |
Molecular Structure: | |
Formula: | C8H10N2O2 |
Molecular Weight: | 166.18 |
Synonyms: | 2-Methyl-3-(pyrimidin-4-yl)propanoic acid; |
Density: | 1.215 g/cm3 |
Boiling Point: | 320.2 °C at 760 mmHg |
Flash Point: | 147.5 °C |
PSA: | 63.08000 |
LogP: | 0.73980 |
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The 2-Methyl-3-pyrimidin-4-ylpropionic acid, with the CAS registry number 819850-15-2, is also known as 2-Methyl-3-(pyrimidin-4-yl)propanoic acid. This chemical's molecular formula is C8H10N2O2 and molecular weight is 166.18. What's more, both its IUPAC name and systematic name are the same which is called 2-Methyl-3-pyrimidin-4-ylpropanoic acid.
Physical properties about 2-Methyl-3-pyrimidin-4-ylpropionic acid are: (1) # of Rule of 5 Violations: 0; (2) #H bond acceptors: 4; (3) #H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5) Polar Surface Area: 63.08 Å2; (6) Index of Refraction: 1.538; (7) Molar Refractivity: 42.77 cm3; (8) Molar Volume: 136.7 cm3; (9) Surface Tension: 54.1 dyne/cm; (10) Density: 1.215 g/cm3; (11) Flash Point: 147.5 °C; (12) Enthalpy of Vaporization: 59.32 kJ/mol; (13) Boiling Point: 320.2 °C at 760 mmHg; (14) Vapour Pressure: 0.000134 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(Cc1ccncn1)C(=O)O
(2) InChI: InChI=1/C8H10N2O2/c1-6(8(11)12)4-7-2-3-9-5-10-7/h2-3,5-6H,4H2,1H3,(H,11,12)
(3) InChIKey: JHWIEAWILPSRMU-UHFFFAOYAQ