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114214-70-9 | 1-Pyrrolidinecarboxylic acid, 3-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 114214-70-9 Catalog No: AG000ASY MDL No:MFCD08704608
Product Description
Catalog Number:
AG000ASY
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
114214-70-9
Molecular Formula:
C17H25NO5S
Molecular Weight:
355.4491
MDL Number:
MFCD08704608
IUPAC Name:
tert-butyl 3-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H25NO5S/c1-13-5-7-15(8-6-13)24(20,21)22-12-14-9-10-18(11-14)16(19)23-17(2,3)4/h5-8,14H,9-12H2,1-4H3
InChI Key:
WPYAOABDDALQSO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.145g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.449g/mol
Monoisotopic Mass:
355.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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