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1103980-04-6 | "((2,5-dimethylphenyl)sulfonyl)alanine"
CAS No: 1103980-04-6 Catalog No: AG01FN3E MDL No:MFCD05148228
Product Description
Catalog Number:
AG01FN3E
Chemical Name:
"((2,5-dimethylphenyl)sulfonyl)alanine"
CAS Number:
1103980-04-6
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD05148228
IUPAC Name:
2-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C11H15NO4S/c1-7-4-5-8(2)10(6-7)17(15,16)12-9(3)11(13)14/h4-6,9,12H,1-3H3,(H,13,14)
InChI Key:
GSYCEOYOBCBKRR-UHFFFAOYSA-N
SMILES:
OC(=O)C(NS(=O)(=O)c1cc(C)ccc1C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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