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Boc-(S)-2-thienylglycine

CAS No.:
40512-56-9
Catalog Number:
AG003OEU
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
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Product Description
Catalog Number:
AG003OEU
Chemical Name:
Boc-(S)-2-thienylglycine
CAS Number:
40512-56-9
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD07371938
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid
InChI:
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-8(9(13)14)7-5-4-6-17-7/h4-6,8H,1-3H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChI Key:
CFAJOXPICRIMCA-MRVPVSSYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](c1cccs1)C(=O)O
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties