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123409-01-8 | 1,3,?-Naphthalenetrisulfonic acid, trisodium salt, hydrate (9CI)
CAS No: 123409-01-8 Catalog No: AG000KJ3 MDL No:MFCD00149263
Product Description
Catalog Number:
AG000KJ3
Chemical Name:
1,3,?-Naphthalenetrisulfonic acid, trisodium salt, hydrate (9CI)
CAS Number:
123409-01-8
MDL Number:
MFCD00149263
IUPAC Name:
trisodium;naphthalene-1,3,6-trisulfonate;hydrate
InChI:
InChI=1S/C10H8O9S3.3Na.H2O/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;;1H2/q;3*+1;/p-3
InChI Key:
XJQMXRPUYORHKQ-UHFFFAOYSA-K
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.889g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
452.305g/mol
Monoisotopic Mass:
451.889g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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