3-Butynoic acid, 2,2-dimethyl-, methyl ester


Chemical Name: 3-Butynoic acid, 2,2-dimethyl-, methyl ester
CAS Number: 95924-34-8
Product Number: AG006A56(AGN-PC-0044JX)
Synonyms:
MDL No:
Molecular Formula: C7H10O2
Molecular Weight: 126.1531

Identification/Properties


Properties
BP:
138.5±23.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
126.155g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
126.068g/mol
Monoisotopic Mass:
126.068g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
159
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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