3,4-Thiomorpholinedicarboxylic acid, 4-(phenylmethyl) ester, (R)-


Chemical Name: 3,4-Thiomorpholinedicarboxylic acid, 4-(phenylmethyl) ester, (R)-
CAS Number: 114580-22-2
Product Number: AG000ERE(AGN-PC-0NYIG1)
Synonyms:
MDL No:
Molecular Formula: C13H14NO4S-
Molecular Weight: 280.3196

Identification/Properties


Computed Properties
Molecular Weight:
281.33g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
281.072179g/mol
Monoisotopic Mass:
281.072179g/mol
Topological Polar Surface Area:
92.1Ų
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
331
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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