2,2-Dimethylbut-3-ynoic acid

Catalog Number	ACM56663764-1
CAS	56663-76-4
Structure
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	37.3Å²
X Log P3	0.9

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