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52789-62-5 | 1-AMINO-8-NAPHTHOL-2,4-DISULFONIC ACID MONOSODIUM SALT
CAS No: 52789-62-5 Catalog No: AG003DXQ MDL No:MFCD00068275
Product Description
Catalog Number:
AG003DXQ
Chemical Name:
1-AMINO-8-NAPHTHOL-2,4-DISULFONIC ACID MONOSODIUM SALT
CAS Number:
52789-62-5
Molecular Formula:
C10H7NNa2O7S2
Molecular Weight:
363.2746
MDL Number:
MFCD00068275
IUPAC Name:
sodium;4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate
InChI:
InChI=1S/C10H9NO7S2.Na/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1
InChI Key:
JOVLEOXYYWEEEW-UHFFFAOYSA-M
SMILES:
Oc1cccc2c1c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
258-185-0
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.964g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.284g/mol
Monoisotopic Mass:
340.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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