CAS No.3456-79-9,3-Phenyl-oxindole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3456-79-9
Name:	3-Phenyl-oxindole
Article Data:	29

Formula:	C₁₄H₁₁NO
Molecular Weight:	209.247
Synonyms:	2-Indolinone,3-phenyl- (7CI,8CI);Oxindole, 3-phenyl- (6CI);3-Phenyl-2-indolinone;NSC249786;2H-Indol-2-one,1,3-dihydro-3-phenyl-;3-Phenyl-1,3-dihydroindol-2-one;
Density:	1.194 g/cm³
Melting Point:	191 °C
Boiling Point:	375.9 °C at 760 mmHg
Flash Point:	224.3 °C
PSA:	29.10000
LogP:	2.90860

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Specification

The 3-Phenyl-oxindole, with the CAS registry number 3456-79-9, is also known as 3-Phenyl-2-indolinone. This chemical's molecular formula is C₁₄H₁₁NO and molecular weight is 209.24. What's more, its systematic name is 3-phenyl-1,3-dihydroindol-2-one.

Physical properties of 3-Phenyl-oxindole are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/BCF (pH 5.5): 95.13; (5)ACD/KOC (pH 5.5): 907.16; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 20.31 Å²; (10)Index of Refraction: 1.622; (11)Molar Refractivity: 61.73 cm³; (12)Molar Volume: 175.2 cm³; (13)Surface Tension: 46.5 dyne/cm; (14)Density: 1.194 g/cm³; (15)Flash Point: 224.3 °C; (16)Enthalpy of Vaporization: 62.35 kJ/mol; (17)Boiling Point: 375.9 °C at 760 mmHg; (18)Vapour Pressure: 7.51E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3NC2=O
(2)InChI: InChI=1S/C14H11NO/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-14/h1-9,13H,(H,15,16)
(3)InChIKey: PAMMIXSSIGTOAK-UHFFFAOYSA-N