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88-44-8 | 2-Amino-5-methylbenzenesulfonic acid
CAS No: 88-44-8 Catalog No: AG003N2U MDL No:MFCD00007908
Product Description
Catalog Number:
AG003N2U
Chemical Name:
2-Amino-5-methylbenzenesulfonic acid
CAS Number:
88-44-8
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD00007908
IUPAC Name:
2-amino-5-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
InChI Key:
LTPSRQRIPCVMKQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)O)N
EC Number:
201-831-3
UNII:
FF86IBK68Z
NSC Number:
7544
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:
0.9
Literature
| Title | Journal |
|---|---|
| Reversed-phase LC determination of two manufacturing intermediates, the unsulfonated subsidiary color, and 4-methyl-Sudan I in D&C Red No. 6, D&C Red No. 7, and their lakes. | Journal of AOAC International 20090101 |
| Cross-talk among structural domains of human DBP upon binding 25-hydroxyvitamin D. | Biochemical and biophysical research communications 20080125 |
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