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| CAS No.: | 66761-27-1 |
|---|---|
| Name: | 4-Azidosalicylic acid |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C7H5N3O3 |
| Molecular Weight: | 179.135 |
| Synonyms: | 3-Azido-5-hydroxy-benzoic acid;Benzoic acid, 4-azido-2-hydroxy-; |
| Melting Point: | 190-193°C (dec.) |
| PSA: | 107.28000 |
| LogP: | 1.48496 |
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- Total:9 Page 1 of 1 1
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Specification
The 4-Azidosalicylic acid, with the CAS registry number 66761-27-1, is also known as Benzoic acid, 4-azido-2-hydroxy-. This chemical's molecular formula is C7H5N3O3 and molecular weight is 179.1329. What's more, its IUPAC name and systematic name are the same which is called 3-Azido-5-hydroxybenzoic acid.
Physical properties about 4-Azidosalicylic acid: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.89 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(O)cc(\N=[N+]=[N-])c1
(2) InChI: InChI=1/C7H5N3O3/c8-10-9-5-1-4(7(12)13)2-6(11)3-5/h1-3,11H,(H,12,13)
(3) InChIKey: IMKRSVNNWZYMKI-UHFFFAOYAG