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94293-54-6 | 8-Hydroxyquinolinium (1S)-2-oxobornane-10-sulphonate
CAS No: 94293-54-6 Catalog No: AG005Z83 MDL No:
Product Description
Catalog Number:
AG005Z83
Chemical Name:
8-Hydroxyquinolinium (1S)-2-oxobornane-10-sulphonate
CAS Number:
94293-54-6
Molecular Formula:
C19H23NO5S
Molecular Weight:
377.4546
IUPAC Name:
[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate;quinolin-1-ium-8-ol
InChI:
InChI=1S/C10H16O4S.C9H7NO/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;11-8-5-1-3-7-4-2-6-10-9(7)8/h7H,3-6H2,1-2H3,(H,12,13,14);1-6,11H/t7?,10-;/m1./s1
InChI Key:
SYCMVVYJIZOHPF-DLGLCQKISA-N
SMILES:
O=C1CC2C([C@]1(CC2)CS(=O)(=O)[O-])(C)C.Oc1cccc2c1[nH+]ccc2
EC Number:
304-947-3
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
377.13g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.455g/mol
Monoisotopic Mass:
377.13g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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