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819850-17-4

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Basic Information
CAS No.: 819850-17-4
Name: 3-PYRIMIDIN-4-YL-PROPIONIC ACID
Molecular Structure:
Molecular Structure of 819850-17-4 (3-PYRIMIDIN-4-YL-PROPIONIC ACID)
Formula: C7H8N2O2
Molecular Weight: 152.153
Synonyms: 3-Pyrimidin-4-ylpropanoic acid;3-Pyrimidin-4-yl-propionic acid;3-(Pyrimidin-4-yl)propanoic acid;
Density: 1.269 g/cm3
Boiling Point: 320.6 °C at 760 mmHg
Flash Point: 147.7 °C
PSA: 63.08000
LogP: 0.49380
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Specification

The 3-Pyrimidin-4-yl propionic acid, with the CAS registry number 819850-17-4, is also known as 3-(Pyrimidin-4-yl)propanoic acid. This chemical's molecular formula is C7H8N2O2 and molecular weight is 152.15. What's more, its systematic name is 3-pyrimidin-4-ylpropanoic acid.

Physical properties of 3-Pyrimidin-4-yl propionic 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: 1.55; (7)Molar Refractivity: 38.18 cm3; (8)Molar Volume: 119.8 cm3; (9)Polarizability: 15.13×10-24cm3; (10)Surface Tension: 60.1 dyne/cm; (11)Density: 1.269 g/cm3; (12)Flash Point: 147.7 °C; (13)Enthalpy of Vaporization: 59.36 kJ/mol; (14)Boiling Point: 320.6 °C at 760 mmHg; (15)Vapour Pressure: 0.00013 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cncnc1CCC(=O)O
(2)InChI: InChI=1S/C7H8N2O2/c10-7(11)2-1-6-3-4-8-5-9-6/h3-5H,1-2H2,(H,10,11)
(3)InChIKey: VWNJMRNPQZKKAU-UHFFFAOYSA-N