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819850-14-1

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Basic Information
CAS No.: 819850-14-1
Name: 2-METHYL-3-PYRIMIDIN-2-YL-PROPIONIC ACID
Molecular Structure:
Molecular Structure of 819850-14-1 (2-METHYL-3-PYRIMIDIN-2-YL-PROPIONIC ACID)
Formula: C8H10N2O2
Molecular Weight: 166.18
Synonyms: Alpha-methyl-2-pyrimidinepropanoic acid;
Density: 1.215 g/cm3
Boiling Point: 305.1 °C at 760 mmHg
Flash Point: 138.3 °C
PSA: 63.08000
LogP: 0.73980
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Specification

The 2-Methyl-3-pyrimidin-2-ylpropionic acid, with the CAS registry number 819850-14-1, is also known as Alpha-methyl-2-pyrimidinepropanoic 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-2-ylpropanoic acid.

Physical properties about 2-Methyl-3-pyrimidin-2-ylpropionic acid are: (1) ACD/LogP: 0.10; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 63.08 Å2; (7) Index of Refraction: 1.538; (8) Molar Refractivity: 42.77 cm3; (9) Molar Volume: 136.7 cm3; (10) Surface Tension: 54.1 dyne/cm; (11) Density: 1.215 g/cm3; (12) Flash Point: 138.3 °C; (13) Enthalpy of Vaporization: 57.6 kJ/mol; (14) Boiling Point: 305.1 °C at 760 mmHg; (15) Vapour Pressure: 0.000368 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(Cc1ncccn1)C(=O)O
(2) InChI: InChI=1/C8H10N2O2/c1-6(8(11)12)5-7-9-3-2-4-10-7/h2-4,6H,5H2,1H3,(H,11,12)
(3) InChIKey: MUBSMKHUHLQYNZ-UHFFFAOYAN