56601-89-9 Purity
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Specification
The molecular formula of 2,2-Dimethyl-but-3-ynoic acid is C6H8O2.
The molecular weight of 2,2-Dimethyl-but-3-ynoic acid is 112.13 g/mol.
The IUPAC name of 2,2-Dimethyl-but-3-ynoic acid is 2,2-dimethylbut-3-ynoic acid.
The InChIKey of 2,2-Dimethyl-but-3-ynoic acid is WCDPCILUMOPENA-UHFFFAOYSA-N.
The canonical SMILES representation of 2,2-Dimethyl-but-3-ynoic acid is CC(C)(C#C)C(=O)O.
The CAS number of 2,2-Dimethyl-but-3-ynoic acid is 56663-76-4.
There is 1 hydrogen bond donor count in 2,2-Dimethyl-but-3-ynoic acid.
The topological polar surface area of 2,2-Dimethyl-but-3-ynoic acid is 37.3 Å2.
Yes, the compound is canonicalized in PubChem.
There are 2 rotatable bond counts in 2,2-Dimethyl-but-3-ynoic acid.