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83694-77-3 | 4H-Dibenzo(de,g)quinolin-2-ol, 5,6,6a,7-tetrahydro-1,3-dimethoxy-, (R)-
CAS No: 83694-77-3 Catalog No: AG008IIH MDL No:
Product Description
Catalog Number:
AG008IIH
Chemical Name:
4H-Dibenzo(de,g)quinolin-2-ol, 5,6,6a,7-tetrahydro-1,3-dimethoxy-, (R)-
CAS Number:
83694-77-3
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
(6aR)-1,3-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
InChI:
InChI=1S/C18H19NO3/c1-21-17-12-7-8-19-13-9-10-5-3-4-6-11(10)15(14(12)13)18(22-2)16(17)20/h3-6,13,19-20H,7-9H2,1-2H3/t13-/m1/s1
InChI Key:
KKUYSGPGLHCNJX-CYBMUJFWSA-N
SMILES:
COc1c(O)c(OC)c2c3c1c1ccccc1C[C@H]3NCC2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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