3-Butynoic acid, 2,2-dimethyl-


Chemical Name: 3-Butynoic acid, 2,2-dimethyl-
CAS Number: 56663-76-4
Product Number: AG0037K1(AGN-PC-0OCF06)
Synonyms:
MDL No:
Molecular Formula: C6H8O2
Molecular Weight: 112.1265

Identification/Properties


Properties
BP:
188.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
112.128g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
112.052g/mol
Monoisotopic Mass:
112.052g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
147
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback