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Benzamide,N-(4-hydroxy-2-methylcyclohexyl)-, trans-1,2,trans-1,4- (8CI) (23062-17-1)

Identification
Name:Benzamide,N-(4-hydroxy-2-methylcyclohexyl)-, trans-1,2,trans-1,4- (8CI)
Synonyms:2-methyl-1,3-oxazole-4-carboxylic acid;4-oxazolecarboxylic acid, 2-methyl-;2-methyloxazole-4-carboxylic acid;Oxazole-4-carboxylic acid, 2-methyl-;
CAS:23062-17-1
Molecular Formula: C5H5NO3
Molecular Weight: 0
Molecular Structure: (C5H5NO3) 2-methyl-1,3-oxazole-4-carboxylic acid;4-oxazolecarboxylic acid, 2-methyl-;2-methyloxazole-4-carboxy...
Properties
Density:1.348 g/cm3
Specification:

The 2-Methyloxazole-4-carboxylic acid, with the CAS registry number 23062-17-1, has the systematic name of 4-(chloromethyl)-7-hydroxy-2H-chromen-2-one. It belongs to the following product categories: Heterocycles series; Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles. And the molecular formula of the chemical is C5H5NO3.  

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.92; (4)ACD/LogD (pH 7.4): -3.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 28.39 cm3; (15)Molar Volume: 94.2 cm3; (16)Polarizability: 11.25×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.348 g/cm3; (19)Flash Point: 117 °C; (20)Enthalpy of Vaporization: 53.66 kJ/mol; (21)Boiling Point: 269.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00349 mmHg at 25°C.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1nc(oc1)C
(2)InChI: InChI=1/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
(3)InChIKey: IARMCEYEYXXEOS-UHFFFAOYAE

Safety Data
 

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