CAS No.22528-79-6,7-Nitro-4-chromanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22528-79-6
Name:	7-Nitro-4-chromanone
Article Data:	4

Formula:	C₉H₇NO₄
Molecular Weight:	193.159
Synonyms:	4-Chromanone,7-nitro- (6CI,8CI);7-Nitro-2,3-dihydro-4H-chromen-4-one;4H-1-Benzopyran-4-one,2,3-dihydro-7-nitro-;
Density:	1.424 g/cm³
Boiling Point:	378.744 °C at 760 mmHg
Flash Point:	197.658 °C
PSA:	72.12000
LogP:	2.08320

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Specification

The 7-Nitro-4-chromanone, with the CAS registry number 22528-79-6, is also known as 4H-1-Benzopyran-4-one,2,3-dihydro-7-nitro-. This chemical's molecular formula is C₉H₇NO₄ and molecular weight is 193.16. What's more, its systematic name is 7-Nitro-2,3-dihydro-4H-chromen-4-one.

Physical properties of 7-Nitro-4-chromanone are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.30; (6)ACD/BCF (pH 7.4): 21.30; (7)ACD/KOC (pH 5.5): 310.76; (8)ACD/KOC (pH 7.4): 310.76; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 46.708 cm³; (15)Molar Volume: 135.645 cm³; (16)Polarizability: 18.517×10^-24cm³; (17)Surface Tension: 58.47 dyne/cm; (18)Density: 1.424 g/cm³; (19)Flash Point: 197.658 °C; (20)Enthalpy of Vaporization: 62.668 kJ/mol; (21)Boiling Point: 378.744 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc2c(c1)OCCC2=O
(2)Std. InChI: InChI=1S/C9H7NO4/c11-8-3-4-14-9-5-6(10(12)13)1-2-7(8)9/h1-2,5H,3-4H2
(3)Std. InChIKey: LSJDOYAXWWYHPO-UHFFFAOYSA-N