3-Butenoic acid, 1,1-dimethylethyl ester


Chemical Name: 3-Butenoic acid, 1,1-dimethylethyl ester
CAS Number: 14036-55-6
Product Number: AG003UJM(AGN-PC-0JU6XI)
Synonyms:
MDL No:
Molecular Formula: C8H14O2
Molecular Weight: 142.1956

Identification/Properties


Properties
BP:
154.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.413
Computed Properties
Molecular Weight:
142.198g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
142.099g/mol
Monoisotopic Mass:
142.099g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
131
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:
Danger
UN#:
3272
Hazard Statements:
H226-H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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