benzyl 3-(methanesulfonyloxy)pyrrolidine-1-carboxylate

benzyl 3-(methanesulfonyloxy)pyrrolidine-1-carboxylate

CAS: 138232-44-7

Formula: C13H17NO5S

SMILES: CS(=O)(=O)OC1CCN(C1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-(methanesulfonyloxy)pyrrolidine-1-carboxylate

InChI: InChI=1/C13H17NO5S/c1-20(16,17)19-12-7-8-14(9-12)13(15)18-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3

Composition: C (52.16%), H (5.72%), N (4.68%), O (26.72%), S (10.71%)

Molar Mass: 299.34

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	299.082743825
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LNRBIPMUYLVQFG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.11
Topological Polar Surface Area	72.91
Polarizability	29.34
Ring Count	2
Rotatable Bond Count	5

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