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114747-34-1 | 1,2,4-Naphthalenetrisulfonic acid, 6-amino-
CAS No: 114747-34-1 Catalog No: AG000F5Q MDL No:
Product Description
Catalog Number:
AG000F5Q
Chemical Name:
1,2,4-Naphthalenetrisulfonic acid, 6-amino-
CAS Number:
114747-34-1
Molecular Formula:
C10H9NO9S3
Molecular Weight:
383.3748
IUPAC Name:
6-aminonaphthalene-1,2,4-trisulfonic acid
InChI:
InChI=1S/C10H9NO9S3/c11-5-1-2-6-7(3-5)8(21(12,13)14)4-9(22(15,16)17)10(6)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
InChI Key:
LKRKPOYQGXPTAO-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(cc(c2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
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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