3-Thietanecarboxylic acid


Chemical Name: 3-Thietanecarboxylic acid
CAS Number: 765-55-9
Product Number: AG005KH1(AGN-PC-041AHP)
Synonyms:
MDL No:
Molecular Formula: C4H6O2S
Molecular Weight: 118.1542

Identification/Properties


Properties
MP:
64-65.5℃
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
118.15g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
118.009g/mol
Monoisotopic Mass:
118.009g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
87.7
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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