Home Carboxys 4-[(tert-butoxy)carbonyl]thiane-4-carboxylic acid

4-[(tert-butoxy)carbonyl]thiane-4-carboxylic acid

CAS No.:
2094633-54-0
Catalog Number:
AG01EAA7
Molecular Formula:
C11H18O4S
Molecular Weight:
246.3232
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Product Description
Catalog Number:
AG01EAA7
Chemical Name:
4-[(tert-butoxy)carbonyl]thiane-4-carboxylic acid
CAS Number:
2094633-54-0
Molecular Formula:
C11H18O4S
Molecular Weight:
246.3232
MDL Number:
MFCD31381046
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]thiane-4-carboxylic acid
InChI:
InChI=1S/C11H18O4S/c1-10(2,3)15-9(14)11(8(12)13)4-6-16-7-5-11/h4-7H2,1-3H3,(H,12,13)
InChI Key:
ZLVFGABBUXBZQM-UHFFFAOYSA-N
SMILES:
O=C(C1(CCSCC1)C(=O)O)OC(C)(C)C
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.093g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.321g/mol
Monoisotopic Mass:
246.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties