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28534-37-4

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Basic Information
CAS No.: 28534-37-4
Name: 5-METHOXYSALICYLAMIDE
Article Data: 5
Molecular Structure:
Molecular Structure of 28534-37-4 (5-METHOXYSALICYLAMIDE)
Formula: C8H9NO3
Molecular Weight: 167.164
Synonyms: m-Anisamide,6-hydroxy- (8CI);5-Methoxysalicylamide;NSC 610294;5-Methoxy-salicylamid;
Density: 1.28 g/cm3
Boiling Point: 320.5 °C at 760 mmHg
Flash Point: 147.7 °C
PSA: 72.55000
LogP: 1.20000
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Specification

The Benzamide,2-hydroxy-5-methoxy-, with the CAS registry number 28534-37-4, is also known as 5-Methoxy-salicylamid. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C8H9NO3 and molecular weight is 167.16. What's more, both its IUPAC name and systematic name are the same which is called 2-Hydroxy-5-methoxybenzamide. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about Benzamide,2-hydroxy-5-methoxy- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 7.23; (6)ACD/BCF (pH 7.4): 6.91; (7)ACD/KOC (pH 5.5): 143.42; (8)ACD/KOC (pH 7.4): 136.99; (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: 17.34×10-24 cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 147.7 °C; (20)Enthalpy of Vaporization: 58.46 kJ/mol; (21)Boiling Point: 320.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000168 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(OC)ccc1O)N
(2)InChI: InChI=1/C8H9NO3/c1-12-5-2-3-7(10)6(4-5)8(9)11/h2-4,10H,1H3,(H2,9,11)
(3)InChIKey: VLSVEVCSHFHKEM-UHFFFAOYAM

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 750mg/kg (750mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.
Link to PubMed
rat LD50 oral 1900mg/kg (1900mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.
Link to PubMed