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861841-94-3

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Basic Information
CAS No.: 861841-94-3
Name: 1-(5-(benzyloxy)-2-hydroxy-3-nitrophenyl)ethanone
Article Data: 13
Molecular Structure:
Molecular Structure of 861841-94-3 (1-(5-(benzyloxy)-2-hydroxy-3-nitrophenyl)ethanone)
Formula: C15H13NO5
Molecular Weight: 287.272
Synonyms: Ethanone, 1-[2-hydroxy-3-nitro-5-(phenylMethoxy)phenyl]-; 1-(5-(Benzyloxy)-2-hydroxy-3-nitrophenyl)ethanone
Density: 1.33 g/cm3
Boiling Point: 400.3 °C at 760 mmHg
Flash Point: 195.9 °C
PSA: 92.35000
LogP: 3.60520
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Chemistry

Molecular Structure of 1-(5-Benzyloxy-2-hydroxy-3-nitrophenyl)ethanone (CAS NO.861841-94-3):

Empirical Formula: C15H13NO5
Molecular Weight: 287.2674
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 92.35Å2
Index of Refraction: 1.62
Molar Refractivity: 75.87 cm3
Molar Volume: 215.9 cm3
Surface Tension: 56.3 dyne/cm
Density: 1.33 g/cm3
Flash Point: 195.9 °C
Enthalpy of Vaporization: 67.65 kJ/mol
Boiling Point: 400.3 °C at 760 mmHg
Vapour Pressure: 5.55E-07 mmHg at 25°C
SMILES: O=N(=O)c1cc(cc(C(C)=O)c1O)OCc2ccccc2
InChI: InChI=1/C15H13NO5/c1-10(17)13-7-12(8-14(15(13)18)16(19)20)21-9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3