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870888-97-4 | 1-Naphthalenesulfonic acid, 4-(1-pyrrolidinyl)-
CAS No: 870888-97-4 Catalog No: AG004LKO MDL No:
Product Description
Catalog Number:
AG004LKO
Chemical Name:
1-Naphthalenesulfonic acid, 4-(1-pyrrolidinyl)-
CAS Number:
870888-97-4
Molecular Formula:
C14H15NO3S
Molecular Weight:
277.3388
IUPAC Name:
4-pyrrolidin-1-ylnaphthalene-1-sulfonic acid
InChI:
InChI=1S/C14H15NO3S/c16-19(17,18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2,(H,16,17,18)
InChI Key:
FEFLSCYBKBFGSA-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc(c2c1cccc2)N1CCCC1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.338g/mol
Monoisotopic Mass:
277.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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