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1969-73-9

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Basic Information
CAS No.: 1969-73-9
Name: 2-(2-NITROPHENYL)ACETALDEHYDE
Article Data: 26
Molecular Structure:
Molecular Structure of 1969-73-9 (2-(2-NITROPHENYL)ACETALDEHYDE)
Formula: C8H7NO3
Molecular Weight: 165.148
Synonyms: Benzeneacetaldehyde, 2-nitro-;
Density: 1.257 g/cm3
Melting Point: 22.5°C
Boiling Point: 285.158 °C at 760 mmHg
Flash Point: 136.804 °C
PSA: 62.89000
LogP: 1.85940
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Specification

The (2-Nitrophenyl)acetaldehyde, with the CAS registry number 1969-73-9, is also known as Benzeneacetaldehyde, 2-nitro-. This chemical's molecular formula is C8H7NO3 and molecular weight is 165.1461. Its systematic name is called (2-nitrophenyl)acetaldehyde.

Physical properties of (2-Nitrophenyl)acetaldehyde: (1)ACD/LogP: 1.79; (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: 136.804 °C; (16)Enthalpy of Vaporization: 52.419 kJ/mol; (17)Boiling Point: 285.158 °C at 760 mmHg; (18)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCc1ccccc1[N+]([O-])=O
(2)InChI: InChI=1/C8H7NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,6H,5H2
(3)InChIKey: PFURPHRKGDQJMN-UHFFFAOYAG