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Home Sulfos 4-Amino-5-methoxy-2-methylbenzensulfonic acid

4-Amino-5-methoxy-2-methylbenzensulfonic acid

CAS No.:
6471-78-9
Catalog Number:
AG00IBEF
Molecular Formula:
C8H11NO4S
Molecular Weight:
217.2422
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$63
- +
5g
97%
In Stock USA
United States
$188
- +
10g
97%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG00IBEF
Chemical Name:
4-Amino-5-methoxy-2-methylbenzensulfonic acid
CAS Number:
6471-78-9
Molecular Formula:
C8H11NO4S
Molecular Weight:
217.2422
MDL Number:
MFCD00035949
IUPAC Name:
4-amino-5-methoxy-2-methylbenzenesulfonic acid
InChI:
InChI=1S/C8H11NO4S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)
InChI Key:
JBAVAJIXZVRJHT-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1N)C)S(=O)(=O)O
EC Number:
229-319-5
UNII:
308K033X64
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.041g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.239g/mol
Monoisotopic Mass:
217.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Morpholinium 4-amino-5-meth-oxy-2-methyl-benzensulfonate. Acta crystallographica. Section E, Structure reports online 20110301
Properties