Name: 3-METHOXY-5-ACETYLAMINO-BENZOIC ACID
SKU: 78238-03-6

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Basic Information

Molecular Structure:
CAS No.:	78238-03-6
Name:	3-METHOXY-5-ACETYLAMINO-BENZOIC ACID

Formula:	C₁₀H₁₁NO₄
Molecular Weight:	209.20
Synonyms:	3-Acetylamino-5-methoxybenzoicacid;3-(acetylamino)-5-methoxybenzoic acid;benzoic acid, 3-(acetylamino)-5-methoxy-;
EINECS:	200-589-5
Density:	1.315 g/cm³
Boiling Point:	465.5 °C at 760 mmHg
Flash Point:	235.3 °C
PSA:	75.63000
LogP:	1.42480

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Specification

The Benzoic acid,3-(acetylamino)-5-methoxy-, with the CAS registry number 78238-03-6, has the systematic name of 3-(acetylamino)-5-methoxybenzoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₁NO₄.

The characteristics of Benzoic acid,3-(acetylamino)-5-methoxy- are as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): -1.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.48; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 54.13 cm³; (15)Molar Volume: 159 cm³; (16)Polarizability: 21.46×10^-24cm³; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.315 g/cm³; (19)Flash Point: 235.3 °C; (20)Enthalpy of Vaporization: 76.61 kJ/mol; (21)Boiling Point: 465.5 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cc(OC)cc(NC(=O)C)c1
(2)InChI: InChI=1/C10H11NO4/c1-6(12)11-8-3-7(10(13)14)4-9(5-8)15-2/h3-5H,1-2H3,(H,11,12)(H,13,14)
(3)InChIKey: CUTDJCLTOMWNGD-UHFFFAOYAQ