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14503-46-9 | Benzenesulfonic acid, 2-(dimethylamino)-
CAS No: 14503-46-9 Catalog No: AG001KHL MDL No:
Product Description
Catalog Number:
AG001KHL
Chemical Name:
Benzenesulfonic acid, 2-(dimethylamino)-
CAS Number:
14503-46-9
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
IUPAC Name:
2-(dimethylamino)benzenesulfonic acid
InChI:
InChI=1S/C8H11NO3S/c1-9(2)7-5-3-4-6-8(7)13(10,11)12/h3-6H,1-2H3,(H,10,11,12)
InChI Key:
YXHILBWQUILXRY-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1S(=O)(=O)O)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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