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The molecular formula of 2,5-Dimethyl-3-hexyne-2,5-diol is C8H14O2.
The molecular weight of 2,5-Dimethyl-3-hexyne-2,5-diol is 142.20 g/mol.
The IUPAC name of 2,5-Dimethyl-3-hexyne-2,5-diol is 2,5-dimethylhex-3-yne-2,5-diol.
The InChI of 2,5-Dimethyl-3-hexyne-2,5-diol is InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3.
The InChIKey of 2,5-Dimethyl-3-hexyne-2,5-diol is IHJUECRFYCQBMW-UHFFFAOYSA-N.
The canonical SMILES of 2,5-Dimethyl-3-hexyne-2,5-diol is CC(C)(C#CC(C)(C)O)O.
The CAS number of 2,5-Dimethyl-3-hexyne-2,5-diol is 142-30-3.
2,5-Dimethyl-3-hexyne-2,5-diol has 2 hydrogen bond donor counts.
2,5-Dimethyl-3-hexyne-2,5-diol has 2 hydrogen bond acceptor counts.
2,5-Dimethyl-3-hexyne-2,5-diol has 2 rotatable bond counts.
141-28-6
3377-92-5
142-09-6
142646-58-0
142-91-6
14379-00-1
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