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117019-87-1 | Dibenz[a,j]acridin-5-ol, 5,6-dihydro-6-methoxy-, (5R-trans)- (9CI)
CAS No: 117019-87-1 Catalog No: AG000DKI MDL No:
Product Description
Catalog Number:
AG000DKI
Chemical Name:
Dibenz[a,j]acridin-5-ol, 5,6-dihydro-6-methoxy-, (5R-trans)- (9CI)
CAS Number:
117019-87-1
Molecular Formula:
C22H17NO2
Molecular Weight:
327.3759
IUPAC Name:
(10R,11R)-11-methoxy-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,15,17,19,21-decaen-10-ol
InChI:
InChI=1S/C22H17NO2/c1-25-22-20-18(15-8-4-5-9-16(15)21(22)24)12-17-14-7-3-2-6-13(14)10-11-19(17)23-20/h2-12,21-22,24H,1H3/t21-,22-/m1/s1
InChI Key:
SCAUYLKEXSMQOD-FGZHOGPDSA-N
SMILES:
CO[C@@H]1c2nc3ccc4c(c3cc2c2c([C@H]1O)cccc2)cccc4
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
327.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.383g/mol
Monoisotopic Mass:
327.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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