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| CAS No.: | 5267-07-2 |
|---|---|
| Name: | 5-Pyrimidineacetic acid |
| Molecular Structure: | |
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| Formula: | C6H6N2O2 |
| Molecular Weight: | 138.126 |
| Synonyms: | 5-Pyrimidineacetic acid;5-Pyrimidineaceticacid(7CI,8CI,9CI);5-PYRIMIDINEACETIC ACID,98%;5-Pyrimidineacetate |
| Density: | 1.336 g/cm3 |
| Melting Point: | 172-173 °C |
| Boiling Point: | 315.1 °C at 760 mmHg |
| Flash Point: | 144.4 °C |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 63.08000 |
| LogP: | 0.10370 |
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Specification
The 5-Pyrimidineaceticacid, with the cas registry number 5267-07-2, has the systematic name of pyrimidin-5-ylacetic acid. And its product category is including pyrimidine.
The physical properties of this chemical are as follows: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 63.08; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 33.54 cm3; (12)Molar Volume: 103.3 cm3; (13)Polarizability: 13.29 ×10-24 cm3; (14)Surface Tension: 65.5 dyne/cm; (15)Density: 1.336 g/cm3; (16)Flash Point: 144.4 °C; (17)Enthalpy of Vaporization: 58.74 kJ/mol; (18)Boiling Point: 315.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000188 mmHg at 25°C.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(O)Cc1cncnc1
(2)InChI:InChI=1/C6H6N2O2/c9-6(10)1-5-2-7-4-8-3-5/h2-4H,1H2,(H,9,10)
(3)InChIKey:HEEUMCHKVXTQIP-UHFFFAOYAF