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Home > Nitro Compounds > 68516-57-4
68516-57-4 | 3-hydroxy-7-nitronaphthalenesulphonic acid
CAS No: 68516-57-4 Catalog No: AG00FSLP MDL No:
Product Description
Catalog Number:
AG00FSLP
Chemical Name:
3-hydroxy-7-nitronaphthalenesulphonic acid
CAS Number:
68516-57-4
IUPAC Name:
3-hydroxy-7-nitronaphthalene-1-sulfonic acid
InChI:
InChI=1S/C10H7NO6S/c12-8-3-6-1-2-7(11(13)14)4-9(6)10(5-8)18(15,16)17/h1-5,12H,(H,15,16,17)
InChI Key:
ZLQRTXWMPHELNM-UHFFFAOYSA-N
EC Number:
271-163-5
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.999g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.227g/mol
Monoisotopic Mass:
268.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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