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286455-85-4 | L-Proline, 1-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
CAS No: 286455-85-4 Catalog No: AG002VY6 MDL No:MFCD01892449
Product Description
Catalog Number:
AG002VY6
Chemical Name:
L-Proline, 1-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
CAS Number:
286455-85-4
Molecular Formula:
C15H21NO4S
Molecular Weight:
311.3965
MDL Number:
MFCD01892449
IUPAC Name:
(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C15H21NO4S/c1-15(2,3)11-6-8-12(9-7-11)21(19,20)16-10-4-5-13(16)14(17)18/h6-9,13H,4-5,10H2,1-3H3,(H,17,18)/t13-/m0/s1
InChI Key:
DTTKDYYHVNHFSJ-ZDUSSCGKSA-N
SMILES:
OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
311.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.396g/mol
Monoisotopic Mass:
311.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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