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114579-00-9 | 4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (6aR)-
CAS No: 114579-00-9 Catalog No: AG000ERG MDL No:
Product Description
Catalog Number:
AG000ERG
Chemical Name:
4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (6aR)-
CAS Number:
114579-00-9
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
(6aR)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
InChI:
InChI=1S/C19H21NO3/c1-20-7-6-12-9-16(23-3)19(21)18-14-10-13(22-2)5-4-11(14)8-15(20)17(12)18/h4-5,9-10,15,21H,6-8H2,1-3H3/t15-/m1/s1
InChI Key:
UFOCZRJLUKCVKZ-OAHLLOKOSA-N
SMILES:
COc1ccc2c(c1)c1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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