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55910-34-4

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Basic Information
CAS No.: 55910-34-4
Name: 2-cyclopentyl-4-nitrophenol
Molecular Structure:
Molecular Structure of 55910-34-4 (2-cyclopentyl-4-nitrophenol)
Formula: C11H13NO3
Molecular Weight: 207.22582
Synonyms: 2-Cyclopentyl-4-nitrophenol;
EINECS: 259-894-8
Density: 1.27g/cm3
Boiling Point: 295.9 °C at 760 mmHg
Flash Point: 124 °C
PSA: 66.05000
LogP: 3.48120
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Specification

The Phenol,2-cyclopentyl-4-nitro-, with CAS registry number 55910-34-4, has the systematic name of 2-cyclopentyl-4-nitrophenol. Its molecular weight is 207.22582. And the chemical formula of this chemical is C11H13NO3. What's more, its EINECS is 259-894-8.

Physical properties of Phenol,2-cyclopentyl-4-nitro-: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 274.87; (6)ACD/BCF (pH 7.4): 95.96; (7)ACD/KOC (pH 5.5): 1925.56; (8)ACD/KOC (pH 7.4): 672.27; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 55.93 cm3; (15)Molar Volume: 163.1 cm3; (16)Polarizability: 22.17×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 124 °C; (20)Enthalpy of Vaporization: 55.71 kJ/mol; (21)Boiling Point: 295.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000838 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(O)c(c1)C2CCCC2
(2)InChI: InChI=1/C11H13NO3/c13-11-6-5-9(12(14)15)7-10(11)8-3-1-2-4-8/h5-8,13H,1-4H2
(3)InChIKey: ABDCPGIQMBSVEO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H13NO3/c13-11-6-5-9(12(14)15)7-10(11)8-3-1-2-4-8/h5-8,13H,1-4H2
(5)Std. InChIKey: ABDCPGIQMBSVEO-UHFFFAOYSA-N