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85895-99-4

85895-99-4 | 2-Hydroxynaphthalene-1,4-disulphonic acid

CAS No: 85895-99-4 Catalog No: AG004NHL MDL No:

Product Description

Catalog Number:
AG004NHL
Chemical Name:
2-Hydroxynaphthalene-1,4-disulphonic acid
CAS Number:
85895-99-4
Molecular Formula:
C10H8O7S2
Molecular Weight:
304.2963
IUPAC Name:
2-hydroxynaphthalene-1,4-disulfonic acid
InChI:
InChI=1S/C10H8O7S2/c11-8-5-9(18(12,13)14)6-3-1-2-4-7(6)10(8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChI Key:
BCIGEHNLIIQCBS-UHFFFAOYSA-N
SMILES:
Oc1cc(c2c(c1S(=O)(=O)O)cccc2)S(=O)(=O)O
EC Number:
288-775-3

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:
0.9  

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