CAS No.10230-68-9,NITROACETONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10230-68-9
Name:	NITROACETONE

Formula:	C₃H₅NO₃
Molecular Weight:	103.078
Synonyms:	2-Propanone,nitro- (6CI,7CI);1-Nitro-2-propanone;Nitroacetone;
Density:	1.171 g/cm³
Melting Point:	50.3°C
Boiling Point:	172.1 °C at 760 mmHg
Flash Point:	73.8 °C
PSA:	62.89000
LogP:	0.37530

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Specification

The 2-Propanone, 1-nitro- is an organic compound with the formula C₃H₅NO₃. The IUPAC name of this chemical is 1-Nitropropan-2-one. With the CAS registry number 10230-68-9, it is also named as 1-Nitroacetone. Besides, its molecular weight is 103.08.

Physical properties about 2-Propanone, 1-nitro- are: (1)ACD/LogP: 0.01; (2)ACD/LogD (pH 5.5): -0.34; (3)ACD/LogD (pH 7.4): -1.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.77; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 62.89 Å²; (11)Index of Refraction: 1.414; (12)Molar Refractivity: 21.99 cm³; (13)Molar Volume: 87.9 cm³; (14)Polarizability: 8.72×10^-24 cm³; (15)Surface Tension: 35.7 dyne/cm; (16)Density: 1.171 g/cm³; (17)Flash Point: 73.8 °C; (18)Enthalpy of Vaporization: 40.84 kJ/mol; (19)Boiling Point: 172.1 °C at 760 mmHg; (20)Vapour Pressure: 1.36 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)CC(=O)C
(2)InChI: InChI=1/C3H5NO3/c1-3(5)2-4(6)7/h2H2,1H3
(3)InChIKey: QCDJOJKIHZQJGX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C3H5NO3/c1-3(5)2-4(6)7/h2H2,1H3
(5)Std. InChIKey: QCDJOJKIHZQJGX-UHFFFAOYSA-N