CAS No.103796-34-5,4,5-DIETHOXY-2-NITRO BENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103796-34-5
Name:	4,5-DIETHOXY-2-NITRO BENZOIC ACID
Article Data:	4

Formula:	C₁₁H₁₃NO₆
Molecular Weight:	255.227
Synonyms:	4,5-Diethoxy-2-nitrobenzoic acid;
Density:	1.31 g/cm³
Melting Point:	142-145 °C
Boiling Point:	424.826 °C at 760 mmHg
Flash Point:	210.728 °C
Appearance:	white crystal powder
PSA:	101.58000
LogP:	2.61360

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Specification

The systematic name of 4,5-Diethoxy-2-nitrobenzoic acid is 4,5-diethoxy-2-nitrobenzoic acid. With the CAS registry number 103796-34-5, it is also named as Benzoic acid,4,5-diethoxy-2-nitro-. In addition, its molecular formula is C₁₁H₁₃NO₆ and its molecular weight is 255.22.

The other characteristics of 4,5-Diethoxy-2-nitrobenzoic acid can be summarized as: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 7; (4)H bond donors: 1; (5)Freely Rotating Bonds: 6; (6)Nominal mass: 255; (7)Average mass: 255.224; (8)Monoisotopic mass: 255.074287; (9)Polar Surface Area: 101.58 Å²; (10)Index of Refraction: 1.553; (11)Molar Refractivity: 62.351 cm³; (12)Molar Volume: 194.823 cm³; (13)Polarizability: 24.718×10^-24cm³; (14)Surface Tension: 49.896 dyne/cm; (15)Density: 1.31 g/cm³; (16)Flash Point: 210.728 °C; (17)Melting point: 142-145 °C; (18)Enthalpy of Vaporization: 71.62 kJ/mol; (19)Boiling Point: 424.826 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:[O-][N+](=O)c1cc(OCC)c(OCC)cc1C(=O)O
(2)InChI:InChI=1/C11H13NO6/c1-3-17-9-5-7(11(13)14)8(12(15)16)6-10(9)18-4-2/h5-6H,3-4H2,1-2H3,(H,13,14)
(3)InChIKey:FULLWXSFKCFUCD-UHFFFAOYAE
(4)Std. InChI:InChI=1S/C11H13NO6/c1-3-17-9-5-7(11(13)14)8(12(15)16)6-10(9)18-4-2/h5-6H,3-4H2,1-2H3,(H,13,14)
(5)Std. InChIKey:FULLWXSFKCFUCD-UHFFFAOYSA-N