Home Sulfos 2-([1-(tert-Butoxycarbonyl)piperidin-4-yl]sulfonyl)benzoic acid

2-([1-(tert-Butoxycarbonyl)piperidin-4-yl]sulfonyl)benzoic acid

CAS No.:
849035-97-8
Catalog Number:
AG00G4IE
Molecular Formula:
C17H23NO6S
Molecular Weight:
369.4326
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$142
- +
5g
98%
1 week
United States
$399
- +
Product Description
Catalog Number:
AG00G4IE
Chemical Name:
2-([1-(tert-Butoxycarbonyl)piperidin-4-yl]sulfonyl)benzoic acid
CAS Number:
849035-97-8
Molecular Formula:
C17H23NO6S
Molecular Weight:
369.4326
MDL Number:
MFCD04037974
IUPAC Name:
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfonylbenzoic acid
InChI:
InChI=1S/C17H23NO6S/c1-17(2,3)24-16(21)18-10-8-12(9-11-18)25(22,23)14-7-5-4-6-13(14)15(19)20/h4-7,12H,8-11H2,1-3H3,(H,19,20)
InChI Key:
OFHZVQJKTJTTOH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)S(=O)(=O)c1ccccc1C(=O)O)OC(C)(C)C
Properties
Complexity:
596  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.125g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
369.432g/mol
Monoisotopic Mass:
369.125g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties