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66146-33-6

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Basic Information
CAS No.: 66146-33-6
Name: (3-NITRO-PHENYL)-ACETALDEHYDE
Article Data: 18
Molecular Structure:
Molecular Structure of 66146-33-6 ((3-NITRO-PHENYL)-ACETALDEHYDE)
Formula: C8H7NO3
Molecular Weight: 165.148
Synonyms: (3-Nitro-phenyl)-acetaldehyde;
Density: 1.257 g/cm3
Boiling Point: 311.931 °C at 760 mmHg
Flash Point: 156.78 °C
PSA: 62.89000
LogP: 1.85940
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Specification

The (3-Nitrophenyl)acetaldehyde, with the CAS registry number 66146-33-6, has the molecular formula C8H7NO3. Besides, its molecular weight is 165.15. Its systematic name is called (3-nitrophenyl)acetaldehyde.

Physical properties of (3-Nitrophenyl)acetaldehyde: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 158; (7)ACD/KOC (pH 7.4): 158; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 42.534 cm3; (12)Molar Volume: 131.411 cm3; (13)Surface Tension: 49.313 dyne/cm; (14)Density: 1.257 g/cm3; (15)Flash Point: 156.78 °C; (16)Enthalpy of Vaporization: 55.289 kJ/mol; (17)Boiling Point: 311.931 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCc1cccc(c1)[N+]([O-])=O
(2)InChI: InChI=1/C8H7NO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,5-6H,4H2
(3)InChIKey: KBHVOPHKSRVNIV-UHFFFAOYAO