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CAS No.: | 63407-32-9 |
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Name: | 2-amino-4-hydroxy-5-methoxybenzoic acid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H9NO4 |
Molecular Weight: | 183.164 |
Synonyms: | 2-Amino-4-hydroxy-5-methoxybenzoicacid;4-Hydroxy-5-methoxyanthranilic acid; |
Density: | 1.445 g/cm3 |
Melting Point: | 169-171 °C |
Boiling Point: | 408.4 °C at 760 mmHg |
Flash Point: | 200.8 °C |
PSA: | 92.78000 |
LogP: | 1.26240 |
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The Benzoicacid, 2-amino-4-hydroxy-5-methoxy-, with the CAS registry number 63407-32-9, is also known as 4-Hydroxy-5-methoxyanthranilic acid. This chemical's molecular formula is C8H9NO4 and molecular weight is 183.16. What's more, its systematic name is 2-Amino-4-hydroxy-5-methoxybenzoic acid.
Physical properties of Benzoicacid, 2-amino-4-hydroxy-5-methoxy- are: (1)ACD/LogP: 0.68; (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): 7.56; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 92.78 Å2; (11)Index of Refraction: 1.646; (12)Molar Refractivity: 45.97 cm3; (13)Molar Volume: 126.6 cm3; (14)Polarizability: 18.22×10-24 cm3; (15)Surface Tension: 70.3 dyne/cm; (16)Density: 1.445 g/cm3; (17)Flash Point: 200.8 °C; (18)Enthalpy of Vaporization: 69.64 kJ/mol; (19)Boiling Point: 408.4 °C at 760 mmHg; (20)Vapour Pressure: 2.11E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(N)c(cc1OC)C(O)=O
(2)InChI: InChI=1/C8H9NO4/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3,10H,9H2,1H3,(H,11,12)
(3)InChIKey: IEVFOUHGGVWJJD-UHFFFAOYAE