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83949-46-6 | 2,7-Naphthalenedisulfonicacid, 3-amino-, ammonium salt (1:1)
CAS No: 83949-46-6 Catalog No: AG004UNZ MDL No:
Product Description
Catalog Number:
AG004UNZ
Chemical Name:
2,7-Naphthalenedisulfonicacid, 3-amino-, ammonium salt (1:1)
CAS Number:
83949-46-6
Molecular Formula:
C10H12N2O6S2
Molecular Weight:
320.3421
IUPAC Name:
azanium;6-amino-7-sulfonaphthalene-2-sulfonate
InChI:
InChI=1S/C10H9NO6S2.H3N/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);1H3
InChI Key:
YPEBHYAVZXWTNF-UHFFFAOYSA-N
SMILES:
Nc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)[O-].[NH4+]
EC Number:
281-407-2
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.014g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.334g/mol
Monoisotopic Mass:
320.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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