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CAS No.: | 16704-78-2 |
---|---|
Name: | (3-hydroxy-p-tolyl)urea |
Molecular Structure: | |
Formula: | C8H10N2O2 |
Molecular Weight: | 166.18 |
Synonyms: | 1-(3-Hydroxy-4-methylphenyl)urea; |
EINECS: | 240-756-0 |
Density: | 1.335 g/cm3 |
Boiling Point: | 315 °C at 760 mmHg |
Flash Point: | 144.3 °C |
PSA: | 75.35000 |
LogP: | 1.96450 |
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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