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117019-80-4 | Dibenz[a,j]acridine-3,4-diol, 3,4-dihydro-, (3R-trans)- (9CI)
CAS No: 117019-80-4 Catalog No: AG000DKL MDL No:
Product Description
Catalog Number:
AG000DKL
Chemical Name:
Dibenz[a,j]acridine-3,4-diol, 3,4-dihydro-, (3R-trans)- (9CI)
CAS Number:
117019-80-4
Molecular Formula:
C21H15NO2
Molecular Weight:
313.3493
IUPAC Name:
(7R,8R)-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,10,13,15,17,19,21-decaene-7,8-diol
InChI:
InChI=1S/C21H15NO2/c23-20-10-7-14-15(21(20)24)6-9-19-17(14)11-16-13-4-2-1-3-12(13)5-8-18(16)22-19/h1-11,20-21,23-24H/t20-,21-/m1/s1
InChI Key:
LWQQPBNWXMYMEF-NHCUHLMSSA-N
SMILES:
O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1
Properties
Complexity:
506
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:
3.6
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