2H-Thiopyran-4-carboxylic acid, tetrahydro-, methyl ester


Chemical Name: 2H-Thiopyran-4-carboxylic acid, tetrahydro-, methyl ester
CAS Number: 128094-82-6
Product Number: AG000XSJ(AGN-PC-03XPVM)
Synonyms:
MDL No:
Molecular Formula: C7H12O2S
Molecular Weight: 160.2340

Identification/Properties


Computed Properties
Molecular Weight:
160.231g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
160.056g/mol
Monoisotopic Mass:
160.056g/mol
Topological Polar Surface Area:
51.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
119
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+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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