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tert-butyl (3R)-3-[(4-methylbenzenesulfonyl)oxy]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[(4-methylbenzenesulfonyl)oxy]pyrrolidine-1-carboxylate

CAS: 139986-03-1

Formula: C16H23NO5S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]1CCN(C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl (3R)-3-[(4-methylbenzenesulfonyl)oxy]pyrrolidine-1-carboxylate

InChI: InChI=1S/C16H23NO5S/c1-12-5-7-14(8-6-12)23(19,20)22-13-9-10-17(11-13)15(18)21-16(2,3)4/h5-8,13H,9-11H2,1-4H3/t13-/m1/s1

Composition: C (56.29%), H (6.79%), N (4.10%), O (23.43%), S (9.39%)

Molar Mass: 341.42

Atom Count: 46

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 341.129694019
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey MWACHFODPQVXHF-CYBMUJFWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.49
Topological Polar Surface Area 72.91
Polarizability 34.72
Ring Count 2
Rotatable Bond Count 5

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99.97% <7 Days 139986-03-1 $4.68-$462.83$4.68$5.61$18.70$92.57$185.13$462.83
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