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CAS No.: | 67724-03-2 |
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Name: | 2-(4-AMINOPHENOXY)BENZENE CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C13H11NO3 |
Molecular Weight: | 229.235 |
Synonyms: | p-Amino-o'-carboxydiphenylether; |
Density: | 1.311 g/cm3 |
Melting Point: | 180-182 °C |
Boiling Point: | 410.1 °C at 760 mmHg |
Flash Point: | 201.8 °C |
Hazard Symbols: | Xi |
PSA: | 72.55000 |
LogP: | 3.34050 |
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The Benzoic acid,2-(4-aminophenoxy)-, with the CAS registry number 67724-03-2, is also known as ZINC03884303. This chemical's molecular formula is C13H11NO3 and molecular weight is 229.23. Its IUPAC name is called 2-(4-aminophenoxy)benzoate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzoic acid,2-(4-aminophenoxy)-: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): -0.87; (3)ACD/LogD (pH 7.4): -1.85; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.651; (12)Molar Refractivity: 63.86 cm3; (13)Molar Volume: 174.8 cm3; (14)Surface Tension: 59.8 dyne/cm; (15)Density: 1.311 g/cm3; (16)Flash Point: 201.8 °C; (17)Enthalpy of Vaporization: 69.84 kJ/mol; (18)Boiling Point: 410.1 °C at 760 mmHg; (19)Vapour Pressure: 1.85E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)[O-])OC2=CC=C(C=C2)N
(2)InChI: InChI=1S/C13H11NO3/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8H,14H2,(H,15,16)/p-1
(3)InChIKey: QHUNNXCUJKOGMN-UHFFFAOYSA-M