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2,2-Dimethylbut-3-ynoic acid

Catalog Number ACM56663764-1
CAS 56663-76-4
Structure {[CurrentData.Name]}
IUPAC Name 2,2-dimethylbut-3-ynoic acid
Synonyms 2,2-dimethylbut-3-ynoic acid;56663-76-4;2,2-dimethyl-3-butynoic acid;2,2-DIMETHYL-BUT-3-YNOIC ACID;3-Butynoic acid, 2,2-dimethyl-;SCHEMBL477922;DTXSID10552247;AMY39223;ZINC2506553;MFCD03093337;AKOS000281012;2,2-Dimethylbut-3-ynoic acid, 98%;CS-W018866;DS-6439;AK114304;AB0049098;Z3525;X-1023;A831140
Molecular Weight 112.13g/mol
Molecular Formula C6H8O2
Canonical SMILES CC(C)(C#C)C(=O)O
InChI InChI=1S/C6H8O2/c1-4-6(2,3)5(7)8/h1H,2-3H3,(H,7,8)
InChI Key WCDPCILUMOPENA-UHFFFAOYSA-N
Complexity 147
Covalently-Bonded Unit Count 1
Exact Mass 112.052429494g/mol
Heavy Atom Count 8
Hydrogen Bond Acceptor Count 2
Monoisotopic Mass 112.052429494g/mol
Rotatable Bond Count 2
Topological Polar Surface Area 37.3Ų
X Log P3 0.9
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