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CAS No.: | 6745-77-3 |
---|---|
Name: | 4-Methoxysalicylamide |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H9NO3 |
Molecular Weight: | 167.164 |
Synonyms: | p-Anisamide,2-hydroxy- (6CI,8CI);2-Hydroxy-4-methoxybenzamide;4-Methoxysalicylamide;benzamide, 2-hydroxy-4-methoxy-;4-Methoxy Salicylamide;4-Methoxysalicylamide; |
Density: | 1.28 g/cm3 |
Melting Point: | 158 °C |
Boiling Point: | 335.5 °C at 760 mmHg |
Flash Point: | 156.7 °C |
Appearance: | White or off-white powder |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 72.55000 |
LogP: | 1.20000 |
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The Benzamide,2-hydroxy-4-methoxy-, with the CAS registry number 6745-77-3, has the systematic name of 2-hydroxy-4-methoxybenzamide. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C8H9NO3.
The characteristics of Benzamide,2-hydroxy-4-methoxy- are as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 9.71; (6)ACD/BCF (pH 7.4): 7.23; (7)ACD/KOC (pH 5.5): 176.87; (8)ACD/KOC (pH 7.4): 131.69; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 43.74 cm3; (15)Molar Volume: 130.5 cm3; (16)Polarizability: 17.34×10-24cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 156.7 °C; (20)Enthalpy of Vaporization: 60.15 kJ/mol; (21)Boiling Point: 335.5 °C at 760 mmHg; (22)Vapour Pressure: 6.12E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(OC)cc1O)N
(2)InChI: InChI=1/C8H9NO3/c1-12-5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11)
(3)InChIKey: BCYRZPCPWKCINY-UHFFFAOYAX