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3'-Carboxy-4'-hydroxyacetoacetanilide

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Name

3'-Carboxy-4'-hydroxyacetoacetanilide

EINECS N/A
CAS No. 13243-99-7 Density 1.449 g/cm3
PSA 103.70000 LogP 1.08100
Solubility N/A Melting Point N/A
Formula C11H11NO5 Boiling Point 529.7 °C at 760 mmHg
Molecular Weight 237.212 Flash Point 274.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13243-99-7 (3'-Carboxy-4'-hydroxy-acetoacetanilide) Hazard Symbols N/A
Synonyms

5-Acetoacetaminosalicylic acid;Salicylicacid, 5-acetoacetamido- (6CI,7CI,8CI);2-Hydroxy-5-acetoacetylaminobenzoicacid;3-Carboxy-4-hydroxyacetoacetanilide;5-(Acetoacetamido)-2-hydroxybenzoicacid;Acetoaceto-3-carboxy-4-hydroxyanilide;Benzoic acid, 2-hydroxy-5-[(3-oxobutanoyl)amino]-;

 

3'-Carboxy-4'-hydroxyacetoacetanilide Specification

The Benzoic acid,5-[(1,3-dioxobutyl)amino]-2-hydroxy-, with the CAS registry number 13243-99-7, is also known as 5-Acetoacetaminosalicylic acid. This chemical's molecular formula is C11H11NO5 and molecular weight is 237.21. What's more, its systematic name is 2-Hydroxy-5-[(3-oxobutanoyl)amino]benzoic acid. 

Physical properties of Benzoic acid,5-[(1,3-dioxobutyl)amino]-2-hydroxy- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 103.7 Å2; (11)Index of Refraction: 1.635; (12)Molar Refractivity: 58.63 cm3; (13)Molar Volume: 163.6 cm3; (14)Polarizability: 23.24×10-24 cm3; (15)Surface Tension: 69.7 dyne/cm; (16)Density: 1.449 g/cm3; (17)Flash Point: 274.1 °C; (18)Enthalpy of Vaporization: 84.71 kJ/mol; (19)Boiling Point: 529.7 °C at 760 mmHg; (20)Vapour Pressure: 4.77E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1O)NC(=O)CC(C)=O
(2)InChI: InChI=1/C11H11NO5/c1-6(13)4-10(15)12-7-2-3-9(14)8(5-7)11(16)17/h2-3,5,14H,4H2,1H3,(H,12,15)(H,16,17)
(3)InChIKey: GZUCOCDWGQMOKH-UHFFFAOYSA-N

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