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2-[4-(N-methylmethanesulfonamido)phenoxy]propanoic acid

2-[4-(N-methylmethanesulfonamido)phenoxy]propanoic acid

Formula: C11H15NO5S

SMILES: CC(OC1=CC=C(C=C1)N(C)S(C)(=O)=O)C(O)=O

IUPAC: 2-[4-(N-methylmethanesulfonamido)phenoxy]propanoic acid

InChI: InChI=1/C11H15NO5S/c1-8(11(13)14)17-10-6-4-9(5-7-10)12(2)18(3,15)16/h4-8H,1-3H3,(H,13,14)

Composition: C (48.34%), H (5.53%), N (5.13%), O (29.27%), S (11.73%)

Molar Mass: 273.3

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 273.067093761
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey PPJOTUBOXZCSDX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.68
Topological Polar Surface Area 83.91
Polarizability 26.14
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H15NO5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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