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117019-83-7 | Dibenz[a,j]acridine-5,6-diol, 5,6-dihydro-, (5R-trans)- (9CI)
CAS No: 117019-83-7 Catalog No: AG000DKK MDL No:
Product Description
Catalog Number:
AG000DKK
Chemical Name:
Dibenz[a,j]acridine-5,6-diol, 5,6-dihydro-, (5R-trans)- (9CI)
CAS Number:
117019-83-7
Molecular Formula:
C21H15NO2
Molecular Weight:
313.3493
IUPAC Name:
(10R,11R)-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,15,17,19,21-decaene-10,11-diol
InChI:
InChI=1S/C21H15NO2/c23-20-15-8-4-3-7-14(15)17-11-16-13-6-2-1-5-12(13)9-10-18(16)22-19(17)21(20)24/h1-11,20-21,23-24H/t20-,21-/m1/s1
InChI Key:
JKYQNBZDRDQRTD-NHCUHLMSSA-N
SMILES:
O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2c2c1cccc2)cccc4
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.356g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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