CAS No.22246-26-0,6-Nitro-1-tetralone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22246-26-0
Name:	6-Nitro-1-tetralone
Article Data:	4

Formula:	C₁₀H₉NO₃
Molecular Weight:	191.186
Synonyms:	3,4-Dihydro-6-nitronaphthalen-1(2H)-one;
Density:	1.322 g/cm³
Melting Point:	117-118 °C
Boiling Point:	361.205 °C at 760 mmHg
Flash Point:	183.71 °C
PSA:	62.89000
LogP:	2.63700

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Specification

The 1(2H)-Naphthalenone,3,4-dihydro-6-nitro-, with the CAS registry number of 22246-26-0, is also known as 3,4-Dihydro-6-nitronaphthalen-1(2H)-one. This chemical's molecular formula is C₁₀H₉NO₃ and molecular weight is 191.18. What's more, its systematic name is 6-Ditrotetralin-1-one.

Physical properties about the 1(2H)-Naphthalenone,3,4-dihydro-6-nitro- are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 462; (8)ACD/KOC (pH 7.4): 462; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.89 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 49.715 cm³; (15)Molar Volume: 144.602 cm³; (16)Surface Tension: 55.582 dyne/cm; (17)Density: 1.322 g/cm³; (18)Flash Point: 183.71 °C; (19)Enthalpy of Vaporization: 60.701 kJ/mol; (20)Boiling Point: 361.205 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1[N+](=O)[O-])CCCC2=O
(2) InChI: InChI=1/C10H9NO3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h4-6H,1-3H2
(3) InChIKey: RKSKZEHRRQUBEJ-UHFFFAOYAG