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133-78-8 | Benzenesulfonic acid, 4-amino-2-methyl-
CAS No: 133-78-8 Catalog No: AG0011I5 MDL No:MFCD00035774
Product Description
Catalog Number:
AG0011I5
Chemical Name:
Benzenesulfonic acid, 4-amino-2-methyl-
CAS Number:
133-78-8
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD00035774
IUPAC Name:
4-amino-2-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H9NO3S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
InChI Key:
ZDIRCGKEOWZBIM-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C)S(=O)(=O)O
EC Number:
205-120-9
Properties
Complexity:
244
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:
1
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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