3-Ethynyloxetan-3-ol


Chemical Name: 3-Ethynyloxetan-3-ol
CAS Number: 1352492-38-6
Product Number: AG003A91(AGN-PC-0WBS8Y)
Synonyms:
MDL No: MFCD20444449
Molecular Formula: C5H6O2
Molecular Weight: 98.0999

Identification/Properties


Computed Properties
Molecular Weight:
98.101g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
98.037g/mol
Monoisotopic Mass:
98.037g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
115
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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