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1-(4-methanesulfonyl-2-methylphenyl)piperidine-2-carboxylic acid

1-(4-methanesulfonyl-2-methylphenyl)piperidine-2-carboxylic acid

CAS: 1188371-40-5

Formula: C14H19NO4S

SMILES: CC1=C(C=CC(=C1)S(C)(=O)=O)N1CCCCC1C(O)=O

IUPAC: 1-(4-methanesulfonyl-2-methylphenyl)piperidine-2-carboxylic acid

InChI: InChI=1/C14H19NO4S/c1-10-9-11(20(2,18)19)6-7-12(10)15-8-4-3-5-13(15)14(16)17/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17)

Composition: C (56.55%), H (6.44%), N (4.71%), O (21.52%), S (10.78%)

Molar Mass: 297.37

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 297.10347927
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey AXEQXXXPDXAHCT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.5
Topological Polar Surface Area 74.68
Polarizability 30.09
Ring Count 2
Rotatable Bond Count 3

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