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Basic Information

Molecular Structure:
CAS No.:	125401-75-4
Name:	Bispyribac
Article Data:	8

Formula:	C₁₉H₁₈N₄O₈
Molecular Weight:	430.374
Synonyms:	Bispyribac;2,6-Bis(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid;2,6-Bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acid;
EINECS:	815-184-5
Density:	1.379 g/cm³
Melting Point:	223-224℃
Boiling Point:	686.4 °C at 760 mmHg
Flash Point:	368.9 °C
Solubility:	73.3 g/l at 20℃
Appearance:	white crystal powder
PSA:	144.24000
LogP:	2.58380

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Specification

This chemical is called Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, and its systematic name is 2,6-Bis(4,6-dimethoxypyrimidin-2-yloxy)benzoic Acid. With the molecular formula of C₁₉H₁₈N₄O₈, its molecular weight is 430.37. The CAS registry number of this chemical is 125401-75-4.

Other characteristics of the Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]- can be summarised as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 12; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 133.24 Å²; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 105.14 cm³; (13)Molar Volume: 312 cm³; (14)Polarizability: 41.68×10^-24cm³; (15)Surface Tension: 56.3 dyne/cm; (16)Density: 1.379 g/cm³; (17)Flash Point: 368.9 °C; (18)Enthalpy of Vaporization: 105.71 kJ/mol; (19)Boiling Point: 686.4 °C at 760 mmHg; (20)Vapour Pressure: 8.74E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c3c(Oc1nc(OC)cc(OC)n1)cccc3Oc2nc(OC)cc(OC)n2
2.InChI: InChI=1/C19H18N4O8/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4/h5-9H,1-4H3,(H,24,25)
3.InChIKey: RYVIXQCRCQLFCM-UHFFFAOYAP