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100632-57-3 | Benzenebutanoic acid, 4-[(methylsulfonyl)amino]-γ-oxo-
CAS No: 100632-57-3 Catalog No: AG0002IN MDL No:MFCD04117906
Product Description
Catalog Number:
AG0002IN
Chemical Name:
Benzenebutanoic acid, 4-[(methylsulfonyl)amino]-γ-oxo-
CAS Number:
100632-57-3
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
MDL Number:
MFCD04117906
IUPAC Name:
4-[4-(methanesulfonamido)phenyl]-4-oxobutanoic acid
InChI:
InChI=1S/C11H13NO5S/c1-18(16,17)12-9-4-2-8(3-5-9)10(13)6-7-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15)
InChI Key:
SJLUQBVGSCLNRB-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1ccc(cc1)NS(=O)(=O)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.287g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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