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2-Propanone, 1-nitro-

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Name

2-Propanone, 1-nitro-

EINECS N/A
CAS No. 10230-68-9 Density 1.171 g/cm3
PSA 62.89000 LogP 0.37530
Solubility N/A Melting Point 50.3°C
Formula C3H5NO3 Boiling Point 172.1 °C at 760 mmHg
Molecular Weight 103.078 Flash Point 73.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 10230-68-9 (NITROACETONE) Hazard Symbols N/A
Synonyms

2-Propanone,nitro- (6CI,7CI);1-Nitro-2-propanone;Nitroacetone;

 

2-Propanone, 1-nitro- 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

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