prop-2-ynyl methanesulfonate


Chemical Name: prop-2-ynyl methanesulfonate
CAS Number: 16156-58-4
Product Number: AG001VPF(AGN-PC-0JOPEF)
Synonyms:
MDL No:
Molecular Formula: C4H6O3S
Molecular Weight: 134.1536

Identification/Properties


Computed Properties
Molecular Weight:
134.149g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
134.004g/mol
Monoisotopic Mass:
134.004g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
187
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#:
2810
Hazard Statements:
H301-H315
Precautionary Statements:
P264-P270-P280-P301+P310+P330-P302+P352-P332+P313-P362+P364-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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