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7251-18-5

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Basic Information
CAS No.: 7251-18-5
Name: 5-methyl-4-{[(E)-phenylmethylidene]amino}-2-(propan-2-yl)phenol
Article Data: 3
Molecular Structure:
Molecular Structure of 7251-18-5 (5-methyl-4-{[(E)-phenylmethylidene]amino}-2-(propan-2-yl)phenol)
Formula: C17H19NO
Molecular Weight: 253.344
Synonyms: Thymol, 6-(benzylideneamino)-(6CI,8CI);NSC 30711;5-methyl-4-{[(E)-phenylmethylidene]amino}-2-(propan-2-yl)phenol;
Density: 1.01 g/cm3
Boiling Point: 418.5 °C at 760 mmHg
Flash Point: 270.9 °C
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Specification

The Phenol,5-methyl-2-(1-methylethyl)-4-[(phenylmethylene)amino]-, with the CAS registry number 7251-18-5, is also known as Thymol, 6-(benzylideneamino)-(6CI,8CI). This chemical's molecular formula is C17H19NO and molecular weight is 253.34. What's more, its systematic name is 5-methyl-4-{[(E)-phenylmethylidene]amino}-2-(propan-2-yl)phenol. 

Physical properties of Phenol,5-methyl-2-(1-methylethyl)-4-[(phenylmethylene)amino]- are: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 21.59 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 79.14 cm3; (9)Molar Volume: 248.6 cm3; (10)Polarizability: 31.37×10-24 cm3; (11)Surface Tension: 34.8 dyne/cm; (12)Density: 1.01 g/cm3; (13)Flash Point: 270.9 °C; (14)Enthalpy of Vaporization: 69.81 kJ/mol; (15)Boiling Point: 418.5 °C at 760 mmHg; (16)Vapour Pressure: 1.35E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Oc2cc(c(\N=C\c1ccccc1)cc2C(C)C)C
(2)InChI: InChI=1/C17H19NO/c1-12(2)15-10-16(13(3)9-17(15)19)18-11-14-7-5-4-6-8-14/h4-12,19H,1-3H3/b18-11+
(3)InChIKey: ZGGSOQNHPVVQAR-WOJGMQOQBU