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16675-72-2 | 2H-Benzo[b]quinolizin-2-one, 1,3,4,6,11,11a-hexahydro-9-hydroxy-8-methoxy-
CAS No: 16675-72-2 Catalog No: AG001WXC MDL No:
Product Description
Catalog Number:
AG001WXC
Chemical Name:
2H-Benzo[b]quinolizin-2-one, 1,3,4,6,11,11a-hexahydro-9-hydroxy-8-methoxy-
CAS Number:
16675-72-2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
9-hydroxy-8-methoxy-1,3,4,6,11,11a-hexahydrobenzo[b]quinolizin-2-one
InChI:
InChI=1S/C14H17NO3/c1-18-14-6-10-8-15-3-2-12(16)7-11(15)4-9(10)5-13(14)17/h5-6,11,17H,2-4,7-8H2,1H3
InChI Key:
JDDREZHWKGTQBD-UHFFFAOYSA-N
SMILES:
COc1cc2CN3CCC(=O)CC3Cc2cc1O
NSC Number:
131700
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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