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147353-44-4 | 4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6a-methyl-6-(methyl-11C)-, (R)- (9CI)
CAS No: 147353-44-4 Catalog No: AG001EUI MDL No:
Product Description
Catalog Number:
AG001EUI
Chemical Name:
4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6a-methyl-6-(methyl-11C)-, (R)- (9CI)
CAS Number:
147353-44-4
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
(6aR)-6,6a-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
InChI:
InChI=1S/C18H19NO2/c1-18-10-12-6-7-14(20)17(21)15(12)13-5-3-4-11(16(13)18)8-9-19(18)2/h3-7,20-21H,8-10H2,1-2H3/t18-/m1/s1
InChI Key:
RPTVQUIRIZNRJB-GOSISDBHSA-N
SMILES:
CN1CCc2c3[C@@]1(C)Cc1ccc(c(c1c3ccc2)O)O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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