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19845-29-5 | 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-
CAS No: 19845-29-5 Catalog No: AG002BIE MDL No:
Product Description
Catalog Number:
AG002BIE
Chemical Name:
6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-
CAS Number:
19845-29-5
Molecular Formula:
C20H23NO3
Molecular Weight:
325.4015
IUPAC Name:
3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
InChI:
InChI=1S/C20H23NO3/c1-22-15-5-6-16-14(10-15)8-9-21-12-17-13(11-18(16)21)4-7-19(23-2)20(17)24-3/h4-7,10,18H,8-9,11-12H2,1-3H3
InChI Key:
UPXYTXFSZSYUNV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCN1C2Cc2ccc(c(c2C1)OC)OC
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.408g/mol
Monoisotopic Mass:
325.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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