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119089-37-1 | 4H-Dibenzo[de,g]quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,3-trimethoxy-, (6aR)-
CAS No: 119089-37-1 Catalog No: AG000I68 MDL No:
Product Description
Catalog Number:
AG000I68
Chemical Name:
4H-Dibenzo[de,g]quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,3-trimethoxy-, (6aR)-
CAS Number:
119089-37-1
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
IUPAC Name:
(6aR)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
InChI:
InChI=1S/C19H21NO4/c1-22-17-11-7-8-20-12-9-10-5-4-6-13(21)14(10)16(15(11)12)18(23-2)19(17)24-3/h4-6,12,20-21H,7-9H2,1-3H3/t12-/m1/s1
InChI Key:
VXYDNYIPLBSIQS-GFCCVEGCSA-N
SMILES:
COc1c2c3[C@H](NCCc3c(c1OC)OC)Cc1c2c(O)ccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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