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26258-72-0

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Basic Information
CAS No.: 26258-72-0
Name: Benzene,1,1'-(2-methyl-2-nitropropylidene)bis[4-ethoxy- (9CI)
Molecular Structure:
Molecular Structure of 26258-72-0 (Benzene,1,1'-(2-methyl-2-nitropropylidene)bis[4-ethoxy- (9CI))
Formula: C20H25NO4
Molecular Weight: 343.423
Synonyms: Propane,1,1-bis(p-ethoxyphenyl)-2-methyl-2-nitro- (8CI);1,1-Bis(p-ethoxyphenyl)-2-methyl-2-nitropropane;
Density: 1.097 g/cm3
Boiling Point: 481.2 °C at 760 mmHg
Flash Point: 180.5 °C
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Specification

The CAS register number of Benzene,1,1'-(2-methyl-2-nitropropylidene)bis[4-ethoxy- (9CI) is 26258-72-0. It also can be called as 1,1-Bis(p-ethoxyphenyl)-2-methyl-2-nitropropane and the IUPAC name about this chemical is 1-ethoxy-4-[1-(4-ethoxyphenyl)-2-methyl-2-nitropropyl]benzene. The molecular formula about this chemical is C20H25NO4 and the molecular weight is 343.4228.

Physical properties about Benzene,1,1'-(2-methyl-2-nitropropylidene)bis[4-ethoxy- (9CI) are: (1)ACD/LogP: 5.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.37; (4)ACD/LogD (pH 7.4): 5.37; (5)ACD/BCF (pH 5.5): 7043.4; (6)ACD/BCF (pH 7.4): 7043.4; (7)ACD/KOC (pH 5.5): 19762.12; (8)ACD/KOC (pH 7.4): 19762.12; (9)#H bond acceptors: 5; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 64.28 Å2; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 98.07 cm3; (14)Molar Volume: 312.9 cm3; (15)Polarizability: 38.88x10-24cm3; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 1.097 g/cm3; (18)Flash Point: 180.5 °C; (19)Enthalpy of Vaporization: 74.59 kJ/mol; (20)Boiling Point: 481.2 °C at 760 mmHg; (21)Vapour Pressure: 2.02E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)C(C)(C)C(c1ccc(OCC)cc1)c2ccc(OCC)cc2
(2)InChI: InChI=1/C20H25NO4/c1-5-24-17-11-7-15(8-12-17)19(20(3,4)21(22)23)16-9-13-18(14-10-16)25-6-2/h7-14,19H,5-6H2,1-4H3
(3)InChIKey: YKXNSWQIFIWKAN-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C20H25NO4/c1-5-24-17-11-7-15(8-12-17)19(20(3,4)21(22)23)16-9-13-18(14-10-16)25-6-2/h7-14,19H,5-6H2,1-4H3
(5)Std. InChIKey: YKXNSWQIFIWKAN-UHFFFAOYSA-N