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28488-47-3

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Basic Information
CAS No.: 28488-47-3
Name: Benzoic acid,5-hexyl-2-hydroxy-
Article Data: 4
Molecular Structure:
Molecular Structure of 28488-47-3 (Benzoic acid,5-hexyl-2-hydroxy-)
Formula: C13H18O3
Molecular Weight: 222.28
Synonyms: Salicylicacid, 5-hexyl- (7CI,8CI);5-Hexyl-2-hydroxybenzoic acid;5-Hexylsalicylic acid;
Density: 1.116 g/cm3
Boiling Point: 368.702 °C at 760 mmHg
Flash Point: 190.967 °C
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Specification

The Benzoic acid,5-hexyl-2-hydroxy-, with the CAS registry number 28488-47-3, is also known as 5-Hexylsalicylic acid. This chemical's molecular formula is C13H18O3 and molecular weight is 222.28. What's more, its systematic name is 5-Hexyl-2-hydroxybenzoic acid.

Physical properties of Benzoic acid,5-hexyl-2-hydroxy- are: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 22; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 63.145 cm3; (15)Molar Volume: 199.237 cm3; (16)Polarizability: 25.033×10-24 cm3; (17)Surface Tension: 46.455 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 190.967 °C; (20)Enthalpy of Vaporization: 64.925 kJ/mol; (21)Boiling Point: 368.702 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1O)CCCCCC
(2)InChI: InChI=1/C13H18O3/c1-2-3-4-5-6-10-7-8-12(14)11(9-10)13(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)
(3)InChIKey: VUGCFIPCDOEBTO-UHFFFAOYSA-N