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159855-98-8 | L-Alanine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
CAS No: 159855-98-8 Catalog No: AG001RG5 MDL No:MFCD02556509
Product Description
Catalog Number:
AG001RG5
Chemical Name:
L-Alanine, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
CAS Number:
159855-98-8
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
MDL Number:
MFCD02556509
IUPAC Name:
2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C13H19NO4S/c1-9(12(15)16)14-19(17,18)11-7-5-10(6-8-11)13(2,3)4/h5-9,14H,1-4H3,(H,15,16)
InChI Key:
PEGZKAPFHJHBPG-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.358g/mol
Monoisotopic Mass:
285.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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