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The molecular formula of 3-Bromo-1-adamantaneacetic acid is C12H17BrO2.
The molecular weight of 3-Bromo-1-adamantaneacetic acid is 273.17 g/mol.
The IUPAC name of 3-Bromo-1-adamantaneacetic acid is 2-(3-bromo-1-adamantyl)acetic acid.
The InChI of 3-Bromo-1-adamantaneacetic acid is InChI=1S/C12H17BrO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15).
The InChIKey of 3-Bromo-1-adamantaneacetic acid is HFGLWCBEPPFDDJ-UHFFFAOYSA-N.
The canonical SMILEs of 3-Bromo-1-adamantaneacetic acid is C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)O.
The CAS number of 3-Bromo-1-adamantaneacetic acid is 17768-34-2.
The European Community (EC) number of 3-Bromo-1-adamantaneacetic acid is 622-668-8.
The XLogP3-AA value of 3-Bromo-1-adamantaneacetic acid is 3.
Yes, 3-Bromo-1-adamantaneacetic acid is a canonicalized compound according to PubChem.
17715-69-4
177480-81-8
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