2-Thiophenepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)-


Chemical Name: 2-Thiophenepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)-
CAS Number: 78452-55-8
Product Number: AG003C8H(AGN-PC-0UDHAR)
Synonyms:
MDL No:
Molecular Formula: C12H17NO4S
Molecular Weight: 271.3327

Identification/Properties


Properties
BP:
431.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.6280 (estimate)
Computed Properties
Molecular Weight:
271.331g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
271.088g/mol
Monoisotopic Mass:
271.088g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
314
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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