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| CAS No.: | 39201-89-3 |
|---|---|
| Name: | 3,4,5-TRIMETHOXYBENZALDEHYDE OXIME |
| Molecular Structure: | |
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| Formula: | C10H13NO4 |
| Molecular Weight: | 211.218 |
| Synonyms: | 3,4,5-trimethoxybenzaldehyde oxime(IM OCS);3,4,5-Trimethoxybenzaldehyde oxime;Benzaldehyde, 3,4,5-trimethoxy-, oxime;(hydroxyimino)(3,4,5-trimethoxyphenyl)methane;benzaldehyde, 3,4,5-trimethoxy-, oxime;(E)-N-hydroxy-1-(3,4,5-trimethoxyphenyl)methanimine; |
| EINECS: | 254-350-6 |
| Density: | 1.14 g/cm3 |
| Boiling Point: | 321 °C at 760 mmHg |
| Flash Point: | 148 °C |
| PSA: | 60.28000 |
| LogP: | 1.52050 |
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Specification
The (NZ)-N-[(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine, with the CAS registry number 39201-89-3, is also known as Benzaldehyde, 3,4,5-trimethoxy-, oxime. It belongs to the product categories of Aromatic Hydrazides; Hydrazines; Hydrazones and Oximes. Its EINECS number is 254-350-6. This chemical's molecular formula is C10H13NO4 and molecular weight is 211.21. What's more, its systematic name is 3,4,5-trimethoxybenzaldehyde oxime.
Physical properties of (NZ)-N-[(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.37; (6)ACD/BCF (pH 7.4): 16.37; (7)ACD/KOC (pH 5.5): 257.39; (8)ACD/KOC (pH 7.4): 257.38; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.28 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 53.59 cm3; (15)Molar Volume: 183.9 cm3; (16)Polarizability: 21.24×10-24 cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 148 °C; (20)Enthalpy of Vaporization: 59.41 kJ/mol; (21)Boiling Point: 321 °C at 760 mmHg; (22)Vapour Pressure: 0.000127 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O(c1cc(cc(OC)c1OC)\C=N\O)C
(2)InChI: InChI=1/C10H13NO4/c1-13-8-4-7(6-11-12)5-9(14-2)10(8)15-3/h4-6,12H,1-3H3/b11-6+
(3)InChIKey: QVZGKUBQTJBLKI-IZZDOVSWBR