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18426-20-5 | 4H-Dibenzo[de,g]quinoline-10,11-diol,5,6,6a,7-tetrahydro-6-propyl-, (6aR)-
CAS No: 18426-20-5 Catalog No: AG0075PR MDL No:
Product Description
Catalog Number:
AG0075PR
Chemical Name:
4H-Dibenzo[de,g]quinoline-10,11-diol,5,6,6a,7-tetrahydro-6-propyl-, (6aR)-
CAS Number:
18426-20-5
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
IUPAC Name:
(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
InChI:
InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
InChI Key:
BTGAJCKRXPNBFI-OAHLLOKOSA-N
SMILES:
CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O
UNII:
NH381P1BR8
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
295.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.382g/mol
Monoisotopic Mass:
295.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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