Text Search
Structure Search

4-methanesulfonyl-2-(morpholin-4-yl)benzoic acid

4-methanesulfonyl-2-(morpholin-4-yl)benzoic acid

CAS: 1197193-34-2

Formula: C12H15NO5S

SMILES: CS(=O)(=O)C1=CC=C(C(O)=O)C(=C1)N1CCOCC1

IUPAC: 4-methanesulfonyl-2-(morpholin-4-yl)benzoic acid

InChI: InChI=1S/C12H15NO5S/c1-19(16,17)9-2-3-10(12(14)15)11(8-9)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)

Composition: C (50.52%), H (5.30%), N (4.91%), O (28.04%), S (11.24%)

Molar Mass: 285.31

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 285.067093761
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey IJHCLZVPIKNHAT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.82
Topological Polar Surface Area 83.91
Polarizability 27.22
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1197193-34-2 $179.06-$608.58$179.06$608.58
Request Quote
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1197193-34-2 $200.10-$633.65$200.10$633.65
Request Quote