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117-56-6 | 1,5-Naphthalenedisulfonic acid, 4-hydroxy-
CAS No: 117-56-6 Catalog No: AG000DIK MDL No:
Product Description
Catalog Number:
AG000DIK
Chemical Name:
1,5-Naphthalenedisulfonic acid, 4-hydroxy-
CAS Number:
117-56-6
Molecular Formula:
C10H8O7S2
Molecular Weight:
304.2963
IUPAC Name:
4-hydroxynaphthalene-1,5-disulfonic acid
InChI:
InChI=1S/C10H8O7S2/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChI Key:
XIQKALDENTUXBY-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1c(ccc2)S(=O)(=O)O)S(=O)(=O)O
EC Number:
204-197-6
UNII:
L6O8AVH6FU
NSC Number:
8629
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.971g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
304.287g/mol
Monoisotopic Mass:
303.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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