| CAS Number: 203626-75-9 isoquinoline-3-carboxylic acid |
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| General Information | ||||||
| Product Number: 203626759
CAS Registry Number: 203626-75-9
(Component: 6624-49-3)
Name:
3-Isoquinolinecarboxylic acid, hydrate (1:1)
3-Isoquinolinecarboxylic acid, monohydrate (9CI)
Chemical Formula: C10H7NO2
Exact Mass: 173.05
Molecular Weight: 173.17
m/z: 173.05 (100.0%), 174.05 (11.0%)
Elemental Analysis: C, 69.36; H, 4.07; N, 8.09; O, 18.48
InChI: InChI=1S/C10H7NO2.H2O/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-6H,(H,12,13);1H2
InChIKey: IXFLTVWYYQIVRB-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C=NC(=CC2=C1)C(=O)O.O
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2006), WO 2006099379 A2 20060921. U.S. Pat. Appl. Publ. (2007), US 20070219239 A1 20070920. |
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