Acetic acid, [(2-furanylmethyl)sulfinyl]-, 4-nitrophenyl ester


Chemical Name: Acetic acid, [(2-furanylmethyl)sulfinyl]-, 4-nitrophenyl ester
CAS Number: 123855-55-0
Product Number: AG000L6I(AGN-PC-001L0L)
Synonyms:
MDL No:
Molecular Formula: C13H11NO6S
Molecular Weight: 309.2945

Identification/Properties


Computed Properties
Molecular Weight:
309.292g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
309.031g/mol
Monoisotopic Mass:
309.031g/mol
Topological Polar Surface Area:
133A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
415
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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