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116692-15-0 | 2-Naphthalenesulfonic acid, 5-(aminomethyl)-
CAS No: 116692-15-0 Catalog No: AG000D0O MDL No:
Product Description
Catalog Number:
AG000D0O
Chemical Name:
2-Naphthalenesulfonic acid, 5-(aminomethyl)-
CAS Number:
116692-15-0
Molecular Formula:
C11H11NO3S
Molecular Weight:
237.2749
IUPAC Name:
5-(aminomethyl)naphthalene-2-sulfonic acid
InChI:
InChI=1S/C11H11NO3S/c12-7-9-3-1-2-8-6-10(16(13,14)15)4-5-11(8)9/h1-6H,7,12H2,(H,13,14,15)
InChI Key:
YKKRQIAZZMYHJQ-UHFFFAOYSA-N
SMILES:
NCc1cccc2c1ccc(c2)S(=O)(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.273g/mol
Monoisotopic Mass:
237.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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