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16675-71-1 | 2H-Benzo[b]quinolizin-2-one, 1,3,4,6,11,11a-hexahydro-8,9-dimethoxy-
CAS No: 16675-71-1 Catalog No: AG001WXD MDL No:
Product Description
Catalog Number:
AG001WXD
Chemical Name:
2H-Benzo[b]quinolizin-2-one, 1,3,4,6,11,11a-hexahydro-8,9-dimethoxy-
CAS Number:
16675-71-1
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
8,9-dimethoxy-1,3,4,6,11,11a-hexahydrobenzo[b]quinolizin-2-one
InChI:
InChI=1S/C15H19NO3/c1-18-14-6-10-5-12-8-13(17)3-4-16(12)9-11(10)7-15(14)19-2/h6-7,12H,3-5,8-9H2,1-2H3
InChI Key:
LTRGVYPKENVTPE-UHFFFAOYSA-N
SMILES:
COc1cc2CC3CC(=O)CCN3Cc2cc1OC
NSC Number:
131702
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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