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CAS No.: | 59864-30-1 |
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Name: | 2,4-DIMETHOXYPYRIMIDINE-6-CARBOXYLIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H8N2O4 |
Molecular Weight: | 184.15 |
Synonyms: | 2,4-Dimethoxypyrimidine-6-carboxylicacid;2,6-Dimethoxypyrimidine-4-carboxylic acid; |
Density: | 1.349g/cm3 |
Melting Point: | 162°C |
Boiling Point: | 396.1 °C at 760 mmHg |
Flash Point: | 193.3 °C |
Hazard Symbols: | Xi |
PSA: | 81.54000 |
LogP: | 0.19200 |
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The 4-Pyrimidinecarboxylicacid, 2,6-dimethoxy-, with CAS registry number 59864-30-1, belongs to the following product categories: (1)APIs & Intermediate; (2)Pyrimidine. It has the systematic name of 2,6-dimethoxypyrimidine-4-carboxylic acid. And the chemical formula of this chemical is C7H8N2O4.
Physical properties of 4-Pyrimidinecarboxylicacid, 2,6-dimethoxy-: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.53; (4)ACD/LogD (pH 7.4): -2.17; (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: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.54 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 42.72 cm3; (15)Molar Volume: 136.4 cm3; (16)Polarizability: 16.93×10-24cm3; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 193.3 °C; (20)Enthalpy of Vaporization: 68.16 kJ/mol; (21)Boiling Point: 396.1 °C at 760 mmHg; (22)Vapour Pressure: 5.53E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc(OC)nc(OC)c1
(2)InChI: InChI=1/C7H8N2O4/c1-12-5-3-4(6(10)11)8-7(9-5)13-2/h3H,1-2H3,(H,10,11)
(3)InChIKey: APCAETLUMQRTDK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H8N2O4/c1-12-5-3-4(6(10)11)8-7(9-5)13-2/h3H,1-2H3,(H,10,11)
(5)Std. InChIKey: APCAETLUMQRTDK-UHFFFAOYSA-N