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6883-22-3 | (R)-2,3-Dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methylfuro(2,3-b)quinolinium
CAS No: 6883-22-3 Catalog No: AG006137 MDL No:
Product Description
Catalog Number:
AG006137
Chemical Name:
(R)-2,3-Dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methylfuro(2,3-b)quinolinium
CAS Number:
6883-22-3
Molecular Formula:
C16H20NO4+
Molecular Weight:
290.3343
IUPAC Name:
(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-6-ol
InChI:
InChI=1S/C16H19NO4/c1-16(2,19)13-8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-13/h5-7,13,19H,8H2,1-4H3/p+1/t13-/m1/s1
InChI Key:
RUZDYQSFFIVRRP-CYBMUJFWSA-O
SMILES:
COc1c2C[C@@H](Oc2[n+](c2c1cc(O)cc2)C)C(O)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.139g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.339g/mol
Monoisotopic Mass:
290.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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