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| CAS No.: | 193693-95-7 |
|---|---|
| Name: | 3-Hydroxy-5-nitrobenzaldehyde |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H5NO4 |
| Molecular Weight: | 167.121 |
| Synonyms: | 3-Hydroxy-5-nitrobenzaldehyde; benzaldehyde, 3-hydroxy-5-nitro- |
| Density: | 1.501 g/cm3 |
| Boiling Point: | 322.766 °C at 760 mmHg |
| Flash Point: | 148.603 °C |
| PSA: | 83.12000 |
| LogP: | 1.63610 |
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Specification
The CAS registry number of Benzaldehyde, 3-hydroxy-5-nitro- is 193693-95-7. This chemical's molecular formula is C7H5NO4 and molecular weight is 167.1189. What's more, its systematic name is called 3-Hydroxy-5-nitrobenzaldehyde.
Physical properties about Benzaldehyde, 3-hydroxy-5-nitro- are: (1)ACD/LogP: 1.98; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 22; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 318; (8)ACD/KOC (pH 7.4): 200; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 83.12 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 41.433 cm3; (15)Molar Volume: 111.371 cm3; (16)Polarizability: 16.425×10-24 cm3; (17)Surface Tension: 70.599 dyne/cm; (18)Density: 1.501 g/cm3; (19)Flash Point: 148.603 °C; (20)Enthalpy of Vaporization: 58.71 kJ/mol; (21)Boiling Point: 322.766 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(cc(O)c1)C=O
(2) InChI: InChI=1/C7H5NO4/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-4,10H
(3) InChIKey: QAGPTXBGYDEOFQ-UHFFFAOYAF