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34029-43-1 | 4H-Dibenzo[de,g]quinoline-9,10-diol,5,6,6a,7-tetrahydro-6-methyl-, (6aR)-
CAS No: 34029-43-1 Catalog No: AG007HNB MDL No:
Product Description
Catalog Number:
AG007HNB
Chemical Name:
4H-Dibenzo[de,g]quinoline-9,10-diol,5,6,6a,7-tetrahydro-6-methyl-, (6aR)-
CAS Number:
34029-43-1
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-9,10-diol
InChI:
InChI=1S/C17H17NO2/c1-18-6-5-10-3-2-4-12-13-9-16(20)15(19)8-11(13)7-14(18)17(10)12/h2-4,8-9,14,19-20H,5-7H2,1H3/t14-/m1/s1
InChI Key:
ISTXHGONSIOJQO-CQSZACIVSA-N
SMILES:
CN1CCc2c3[C@H]1Cc1cc(O)c(cc1c3ccc2)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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