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24447-99-2 | 4-(Methylamino);benzenesulfonic acid
CAS No: 24447-99-2 Catalog No: AG003T73 MDL No:MFCD00014732
Product Description
Catalog Number:
AG003T73
Chemical Name:
4-(Methylamino);benzenesulfonic acid
CAS Number:
24447-99-2
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD00014732
IUPAC Name:
4-(methylamino)benzenesulfonic acid
InChI:
InChI=1S/C7H9NO3S/c1-8-6-2-4-7(5-3-6)12(9,10)11/h2-5,8H,1H3,(H,9,10,11)
InChI Key:
QRAXZXPSAGQUNP-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)S(=O)(=O)O
EC Number:
246-256-9
NSC Number:
163928
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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