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CAS No.: | 354512-22-4 |
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Name: | 3-METHOXY-5-NITROBENZALDEHYDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H7NO4 |
Molecular Weight: | 181.148 |
Synonyms: | 3-Methoxy-5-nitrobenzaldehyde; |
Density: | 1.322 g/cm3 |
Boiling Point: | 326.5 °C at 760 mmHg |
Flash Point: | 165.4 °C |
PSA: | 72.12000 |
LogP: | 1.93910 |
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The CAS registry number of Benzaldehyde,3-methoxy-5-nitro- is 354512-22-4. This chemical's molecular formula is C8H7NO4 and molecular weight is 181.14548. What's more, its systematic name is called 3-Methoxy-5-nitrobenzaldehyde.
Physical properties about Benzaldehyde,3-methoxy-5-nitro- are: (1)ACD/LogP: 2.06; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.64; (6)ACD/BCF (pH 7.4): 21.64; (7)ACD/KOC (pH 5.5): 314.36; (8)ACD/KOC (pH 7.4): 314.36; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 46.22 cm3; (15)Molar Volume: 136.9 cm3; (16)Polarizability: 18.32×10-24 cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 165.4 °C; (20)Enthalpy of Vaporization: 56.87 kJ/mol; (21)Boiling Point: 326.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000215 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(cc(c1)[N+](=O)[O-])C=O
(2) InChI: InChI=1/C8H7NO4/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-5H,1H3
(3) InChIKey: XZFQLZGPDRXXHV-UHFFFAOYAJ