2H-Pyran-4-methanol, tetrahydro-, 4-methylbenzenesulfonate


Chemical Name: 2H-Pyran-4-methanol, tetrahydro-, 4-methylbenzenesulfonate
CAS Number: 101691-65-0
Product Number: AG00058M(AGN-PC-0NV9KQ)
Synonyms:
MDL No:
Molecular Formula: C13H18O4S
Molecular Weight: 270.3446

Identification/Properties


Computed Properties
Molecular Weight:
270.343g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
270.093g/mol
Monoisotopic Mass:
270.093g/mol
Topological Polar Surface Area:
61A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
333
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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