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88963-72-8 | Benzenesulfonic acid, 4-(diacetylamino)-
CAS No: 88963-72-8 Catalog No: AG0047HT MDL No:
Product Description
Catalog Number:
AG0047HT
Chemical Name:
Benzenesulfonic acid, 4-(diacetylamino)-
CAS Number:
88963-72-8
Molecular Formula:
C10H11NO5S
Molecular Weight:
257.2630
IUPAC Name:
4-(diacetylamino)benzenesulfonic acid
InChI:
InChI=1S/C10H11NO5S/c1-7(12)11(8(2)13)9-3-5-10(6-4-9)17(14,15)16/h3-6H,1-2H3,(H,14,15,16)
InChI Key:
GSPMWVASTKCPQJ-UHFFFAOYSA-N
SMILES:
CC(=O)N(c1ccc(cc1)S(=O)(=O)O)C(=O)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.26g/mol
Monoisotopic Mass:
257.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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