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87309-33-9 | 6-amino-1,3-naphthalenedisulfonic acid
CAS No: 87309-33-9 Catalog No: AG004OQ8 MDL No:
Product Description
Catalog Number:
AG004OQ8
Chemical Name:
6-amino-1,3-naphthalenedisulfonic acid
CAS Number:
87309-33-9
Molecular Formula:
C10H9NO6S2
Molecular Weight:
303.3116
IUPAC Name:
6-aminonaphthalene-1,3-disulfonic acid
InChI:
InChI=1S/C10H9NO6S2/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChI Key:
KZCSUEYBKAPKNH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cc(cc2S(=O)(=O)O)S(=O)(=O)O
EC Number:
204-246-1
NSC Number:
4157
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.987g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.303g/mol
Monoisotopic Mass:
302.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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