3-ethynyl-3-methyloxetane


Chemical Name: 3-ethynyl-3-methyloxetane
CAS Number: 1290541-27-3
Product Number: AG000YT4(AGN-PC-0BU665)
Synonyms:
MDL No:
Molecular Formula: C6H8O
Molecular Weight: 96.1271

Identification/Properties


Computed Properties
Molecular Weight:
96.129g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
96.058g/mol
Monoisotopic Mass:
96.058g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
113
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#:
1993
Hazard Statements:
H225
Precautionary Statements:
P210
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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