Products Categories
CAS No.: | 6214-46-6 |
---|---|
Name: | ETHYL2-(4-HYDROXYPYRIMIDIN-5-YL)ACETATE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H10N2O3 |
Molecular Weight: | 182.179 |
Synonyms: | 5-Pyrimidineaceticacid, 4-hydroxy-, ethyl ester (7CI,8CI); |
EINECS: | 604-604-1 |
Density: | 1.268 g/cm3 |
Melting Point: | 155-156 °C |
Boiling Point: | 314.46 °C at 760 mmHg |
Flash Point: | 143.981 °C |
PSA: | 72.31000 |
LogP: | 0.28780 |
What can I do for you?
Get Best Price
The 5-Pyrimidineaceticacid, 3, 4-dihydro-4-oxo-, ethyl ester, with the CAS registry number of 6214-46-6, is also known as 4-Hydroxy-5-pyrimidineacetic acid ethyl ester. This chemical's molecular formula is C8H10N2O3 and molecular weight is 182.1766. What's more, its systematic name is called Ethyl 2-(4-hydroxypyrimidin-5-yl)acetate.
Physical properties about 5-Pyrimidineaceticacid, 3, 4-dihydro-4-oxo-, ethyl ester are: (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): 12.56; (5)ACD/KOC (pH 7.4): 10.948; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 72.31 Å2; (10)Index of Refraction: 1.538; (11)Molar Refractivity: 44.907 cm3; (12)Molar Volume: 143.624 cm3; (13)Polarizability: 17.802×10-24 cm3; (14)Surface Tension: 55.199 dyne/cm; (15)Density: 1.268 g/cm3; (16)Flash Point: 143.981 °C; (17)Enthalpy of Vaporization: 57.776 kJ/mol; (18)Boiling Point: 314.46 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)Cc1cncnc1O
(2) InChI: InChI=1/C8H10N2O3/c1-2-13-7(11)3-6-4-9-5-10-8(6)12/h4-5H,2-3H2,1H3,(H,9,10,12)
(3) InChIKey: LBOPQWUXCIRYIU-UHFFFAOYAY