CAS No.70110-60-0,1,3-DIHYDROXY-5-TRICOSYLBENZEN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70110-60-0
Name:	1,3-DIHYDROXY-5-TRICOSYLBENZEN

Formula:	C₂₉H₅₂O₂
Molecular Weight:	432.72198
Synonyms:	5-tricosylbenzene-1,3-diol;5-Tricosyl-1,3-benzenediol;1,,3-Dihydroxy-5-tricosylbenzen;
EINECS:	200-258-5
Density:	0.929 g/cm³
Boiling Point:	550 °C at 760 mmHg
Flash Point:	220.3 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	40.46000
LogP:	9.85230

Country:
- China (Mainland)(11)
- United Kingdom(1)
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Specification

This chemical is called 1,3-Benzenediol, 5-tricosyl-, and it can also be named as 5-Tricosyl-1,3-benzenediol. With the molecular formula of C₂₉H₅₂O₂, its molecular weight is 432.72198. The CAS registry number of this chemical is 70110-60-0. In addition, its systematic name is 5-tricosylbenzene-1,3-diol.

Other characteristics of the 1,3-Benzenediol, 5-tricosyl- can be summarised as followings: (1)ACD/LogP: 12.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.91; (4)ACD/LogD (pH 7.4): 12.91; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 136.85 cm³; (15)Molar Volume: 465.7 cm³; (16)Polarizability: 54.25×10^-24 cm³; (17)Surface Tension: 37 dyne/cm; (18)Density: 0.929 g/cm³; (19)Flash Point: 220.3 °C; (20)Enthalpy of Vaporization: 86.09 kJ/mol; (21)Boiling Point: 550 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Oc1cc(cc(O)c1)CCCCCCCCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3
3.InChIKey: OHTBGMREZYLZQD-UHFFFAOYAV