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117-42-0 | 1,3,6-Naphthalenetrisulfonic acid, 8-amino-
CAS No: 117-42-0 Catalog No: AG000DHM MDL No:MFCD00035857
Product Description
Catalog Number:
AG000DHM
Chemical Name:
1,3,6-Naphthalenetrisulfonic acid, 8-amino-
CAS Number:
117-42-0
Molecular Formula:
C10H9NO9S3
Molecular Weight:
383.3748
MDL Number:
MFCD00035857
IUPAC Name:
8-aminonaphthalene-1,3,6-trisulfonic acid
InChI:
InChI=1S/C10H9NO9S3/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
InChI Key:
UBDHSURDYAETAL-UHFFFAOYSA-N
SMILES:
Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
UNII:
D33V8NB7KB
NSC Number:
227195
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.944g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
383.36g/mol
Monoisotopic Mass:
382.944g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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