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The molecular formula is C7H13BN2O3.
The molecular weight is 184.00 g/mol.
The IUPAC name is [6-(dimethylamino)pyridin-3-yl]boronic acid;hydrate.
The InChI code is InChI=1S/C7H11BN2O2.H2O/c1-10(2)7-4-3-6(5-9-7)8(11)12;/h3-5,11-12H,1-2H3;1H2.
The InChIKey is KIAVEKTZSDRSQT-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CN=C(C=C1)N(C)C)(O)O.O.
The CAS number is 579525-46-5.
There are 3 hydrogen bond donor counts.
There are 5 hydrogen bond acceptor counts.
206658-89-1
476334-45-9
1309982-57-7
1072952-47-6
1310384-86-1
883231-25-2
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