(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid


Chemical Name: (3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid
CAS Number: 128453-98-5
Product Number: AG000Y3Z(AGN-PC-0KKKS6)
Synonyms:
MDL No: MFCD02683067
Molecular Formula: C10H16NO4S-
Molecular Weight: 246.3033

Identification/Properties


Properties
MP:
145-146°C
BP:
398.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
247.309g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
247.088g/mol
Monoisotopic Mass:
247.088g/mol
Topological Polar Surface Area:
92.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
287
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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