2H-Thiopyran-3-carboxylic acid, tetrahydro-


Chemical Name: 2H-Thiopyran-3-carboxylic acid, tetrahydro-
CAS Number: 161404-76-8
Product Number: AG001SFP(AGN-PC-025BZX)
Synonyms:
MDL No:
Molecular Formula: C6H10O2S
Molecular Weight: 146.2074

Identification/Properties


Computed Properties
Molecular Weight:
146.204g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
146.04g/mol
Monoisotopic Mass:
146.04g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
114
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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