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| CAS No.: | 112725-89-0 |
|---|---|
| Name: | 3,5-Diaminosalicylic acid |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C7H8N2O3 |
| Molecular Weight: | 168.152 |
| Synonyms: | 3,5-Diaminosalicylic acid; |
| Density: | 1.602 g/cm3 |
| Boiling Point: | 455.8 °C at 760 mmHg |
| Flash Point: | 229.4 °C |
| PSA: | 109.57000 |
| LogP: | 1.41720 |
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- Total:36 Page 1 of 1 1
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Specification
The 3,5-Diaminosalicylic acid eith the cas number 112725-89-0 is also called Benzoic acid,3,5-diamino-2-hydroxy-. The systematic name is 3,5-diamino-2-hydroxybenzoic acid. Its molecular formula is C7H8N2O3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 109.57 Å2; (10)Index of Refraction: 1.768; (11)Molar Refractivity: 43.53 cm3; (12)Molar Volume: 104.9 cm3; (13)Polarizability: 17.25×10-24cm3; (14)Surface Tension: 105.1 dyne/cm ; (15)Enthalpy of Vaporization: 75.41 kJ/mol; (16)Vapour Pressure: 4.24×10-9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(C(O)=O)c(O)c(N)c1
(2)InChI: InChI=1/C7H8N2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,8-9H2,(H,11,12)
(3)InChIKey: HQURVGSRQBOZEX-UHFFFAOYAE