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CAS No.: | 76275-14-4 |
---|---|
Name: | 9,10-Dibutoxyanthracene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C22H26O2 |
Molecular Weight: | 322.447 |
Synonyms: | Anthracure UVS 1331;DBA (sensitizer);UVS 1331; |
Density: | 1.058 g/cm3 |
Boiling Point: | 478.84 °C at 760 mmHg |
Flash Point: | 179.209 °C |
PSA: | 18.46000 |
LogP: | 6.35080 |
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The Anthracene,9,10-dibutoxy-, with the CAS registry number 76275-14-4, is also known as Anthracure UVS 1331. This chemical's molecular formula is C22H26O2 and molecular weight is 322.44. What's more, both its IUPAC name and systematic name are the same which is called 9,10-Dibutoxyanthracene.
Physical properties about Anthracene,9,10-dibutoxy- are: (1)ACD/LogP: 7.589; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.59; (4)ACD/LogD (pH 7.4): 7.59; (5)ACD/BCF (pH 5.5): 344768.50; (6)ACD/BCF (pH 7.4): 344768.50; (7)ACD/KOC (pH 5.5): 320136.60; (8)ACD/KOC (pH 7.4): 320136.60; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 103.092 cm3; (15)Molar Volume: 304.71 cm3; (16)Polarizability: 40.869×10-24cm3; (17)Surface Tension: 40.14 dyne/cm; (18)Density: 1.058 g/cm3; (19)Flash Point: 179.209 °C; (20)Enthalpy of Vaporization: 71.469 kJ/mol; (21)Boiling Point: 478.84 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCCCOc2c1ccccc1c(OCCCC)c3ccccc23
(2) InChI: InChI=1S/C22H26O2/c1-3-5-15-23-21-17-11-7-9-13-19(17)22(24-16-6-4-2)20-14-10-8-12-18(20)21/h7-14H,3-6,15-16H2,1-2H3
(3) InChIKey: KSMGAOMUPSQGTB-UHFFFAOYSA-N