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89595-51-7 | 2-Naphthalenesulfonic acid, 8-(dimethylamino)-
CAS No: 89595-51-7 Catalog No: AG003XJQ MDL No:
Product Description
Catalog Number:
AG003XJQ
Chemical Name:
2-Naphthalenesulfonic acid, 8-(dimethylamino)-
CAS Number:
89595-51-7
Molecular Formula:
C12H13NO3S
Molecular Weight:
251.3015
IUPAC Name:
8-(dimethylamino)naphthalene-2-sulfonic acid
InChI:
InChI=1S/C12H13NO3S/c1-13(2)12-5-3-4-9-6-7-10(8-11(9)12)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)
InChI Key:
ATYSUIFFUCAXHH-UHFFFAOYSA-N
SMILES:
CN(c1cccc2c1cc(cc2)S(=O)(=O)O)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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