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88963-70-6

88963-70-6 | 1,3-Naphthalenedisulfonic acid, 8-(acetylamino)-

CAS No: 88963-70-6 Catalog No: AG0045YP MDL No:

Product Description

Catalog Number:
AG0045YP
Chemical Name:
1,3-Naphthalenedisulfonic acid, 8-(acetylamino)-
CAS Number:
88963-70-6
Molecular Formula:
C12H11NO7S2
Molecular Weight:
345.3482
IUPAC Name:
8-acetamidonaphthalene-1,3-disulfonic acid
InChI:
InChI=1S/C12H11NO7S2/c1-7(14)13-10-4-2-3-8-5-9(21(15,16)17)6-11(12(8)10)22(18,19)20/h2-6H,1H3,(H,13,14)(H,15,16,17)(H,18,19,20)
InChI Key:
XDRSCOTWUIQDAH-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O

Properties

Complexity:
631  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.998g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
345.34g/mol
Monoisotopic Mass:
344.998g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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