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Urea,N-(3-hydroxy-4-methylphenyl)-

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Name

Urea,N-(3-hydroxy-4-methylphenyl)-

EINECS 240-756-0
CAS No. 16704-78-2 Density 1.335 g/cm3
PSA 75.35000 LogP 1.96450
Solubility N/A Melting Point N/A
Formula C8H10N2O2 Boiling Point 315 °C at 760 mmHg
Molecular Weight 166.18 Flash Point 144.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16704-78-2 ((3-hydroxy-p-tolyl)urea) Hazard Symbols N/A
Synonyms

1-(3-Hydroxy-4-methylphenyl)urea;

 

Urea,N-(3-hydroxy-4-methylphenyl)- Specification

The Urea,N-(3-hydroxy-4-methylphenyl)-, with the CAS registry number of 16704-78-2, is also known as 1-(3-Hydroxy-4-methylphenyl)urea. Its EINECS registry number is 240-756-0. Its molecular formula is C8H10N2O2 and molecular weight is 166.1772. What's more, its IUPAC name is (3-Hydroxy-4-methylphenyl)urea.

Physical properties about the Urea,N-(3-hydroxy-4-methylphenyl)- are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.49; (6)ACD/BCF (pH 7.4): 2.48; (7)ACD/KOC (pH 5.5): 66.85; (8)ACD/KOC (pH 7.4): 66.71; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 46.13 cm3; (15)Molar Volume: 124.3 cm3; (16)Surface Tension: 64.7 dyne/cm; (17)Density: 1.335 g/cm3; (18)Flash Point: 144.3 °C; (19)Enthalpy of Vaporization: 57.84 kJ/mol; (20)Boiling Point: 315 °C at 760 mmHg; (21)Vapour Pressure: 0.000243 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1cc(O)c(cc1)C)N
(2) InChI: InChI=1/C8H10N2O2/c1-5-2-3-6(4-7(5)11)10-8(9)12/h2-4,11H,1H3,(H3,9,10,12)
(3) InChIKey: ANLILZBBUVRVRP-UHFFFAOYAE

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