(1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)ACETIC ACID


Chemical Name: (1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)ACETIC ACID
CAS Number: 1224869-02-6
Product Number: AG0017AH(AGN-PC-0WAJVP)
Synonyms:
MDL No:
Molecular Formula: C7H12O4S
Molecular Weight: 192.2328

Identification/Properties


Computed Properties
Molecular Weight:
192.229g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
192.046g/mol
Monoisotopic Mass:
192.046g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
248
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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