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137-50-8

137-50-8 | 1,3-Benzenedisulfonic acid, 4,6-diamino-

CAS No: 137-50-8 Catalog No: AG0012P7 MDL No:MFCD00035900

Product Description

Catalog Number:
AG0012P7
Chemical Name:
1,3-Benzenedisulfonic acid, 4,6-diamino-
CAS Number:
137-50-8
Molecular Formula:
C6H8N2O6S2
Molecular Weight:
268.2675
MDL Number:
MFCD00035900
IUPAC Name:
4,6-diaminobenzene-1,3-disulfonic acid
InChI:
InChI=1S/C6H8N2O6S2/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14)
InChI Key:
YADSWTKOIHUSDX-UHFFFAOYSA-N
SMILES:
Nc1cc(N)c(cc1S(=O)(=O)O)S(=O)(=O)O
EC Number:
205-298-8

Properties

Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.982g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
268.258g/mol
Monoisotopic Mass:
267.982g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  

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