1,3-Dithiane-2-carboxylic acid, ethyl ester


Chemical Name: 1,3-Dithiane-2-carboxylic acid, ethyl ester
CAS Number: 20462-00-4
Product Number: AG0029LU(AGN-PC-0JLXI1)
Synonyms:
MDL No:
Molecular Formula: C7H12O2S2
Molecular Weight: 192.2990

Identification/Properties


Properties
MP:
19-21 °C
Storage:
Room Temperature;Light sensitive;Keep in dry area;
Form:
Liquid
Computed Properties
Molecular Weight:
192.291g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
192.028g/mol
Monoisotopic Mass:
192.028g/mol
Topological Polar Surface Area:
76.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
132
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:
Danger
UN#:
3272
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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