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| CAS No.: | 439108-20-0 |
|---|---|
| Name: | 3-Pyrimidin-2-yl-propionic acid |
| Molecular Structure: | |
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| Formula: | C7H8N2O2 |
| Molecular Weight: | 152.153 |
| Synonyms: | 3-Pyrimidin-2-ylpropanoic acid; |
| Density: | 1.269 g/cm3 |
| Boiling Point: | 303.3 °C at 760 mmHg |
| Flash Point: | 137.3 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 63.08000 |
| LogP: | 0.49380 |
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Specification
The 3-Pyrimidin-2-yl-propionic acid, with the CAS registry number of 439108-20-0, is also known as 2-Pyrimidinepropanoic acid. It belongs to the product category of API Intermediates. This chemical's molecular formula is C7H8N2O2 and molecular weight is 152.15. What's more, its systematic name is called 3-Pyrimidin-2-ylpropanoic acid.
Physical properties about 3-Pyrimidin-2-yl-propionic acid are: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.55; (4)ACD/LogD (pH 7.4): -3.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 38.18 cm3; (15)Molar Volume: 119.8 cm3; (16)Surface Tension: 60.1 dyne/cm; (17)Density: 1.269 g/cm3; (18)Flash Point: 137.3 °C; (19)Enthalpy of Vaporization: 57.4 kJ/mol; (20)Boiling Point: 303.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000413 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCc1ncccn1
(2) InChI: InChI=1/C7H8N2O2/c10-7(11)3-2-6-8-4-1-5-9-6/h1,4-5H,2-3H2,(H,10,11)
(3) InChIKey: UXTNNDRHOGJJFE-UHFFFAOYAR