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158654-83-2 | 1-Pyrrolidinecarboxylic acid, 3-[[(4-methylphenyl)sulfonyl]oxy]-, phenylmethyl ester, (3S)-
CAS No: 158654-83-2 Catalog No: AG001QPZ MDL No:MFCD18252853
Product Description
Catalog Number:
AG001QPZ
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[(4-methylphenyl)sulfonyl]oxy]-, phenylmethyl ester, (3S)-
CAS Number:
158654-83-2
Molecular Formula:
C19H21NO5S
Molecular Weight:
375.4387
MDL Number:
MFCD18252853
IUPAC Name:
benzyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C19H21NO5S/c1-15-7-9-18(10-8-15)26(22,23)25-17-11-12-20(13-17)19(21)24-14-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3/t17-/m0/s1
InChI Key:
SMCDOKNEALHLNF-KRWDZBQOSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O[C@H]1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
375.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.439g/mol
Monoisotopic Mass:
375.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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