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16675-73-3 | 2H-Benzo[b]quinolizin-2-one, 1,3,4,6,11,11a-hexahydro-7-hydroxy-8-methoxy-
CAS No: 16675-73-3 Catalog No: AG001WXB MDL No:
Product Description
Catalog Number:
AG001WXB
Chemical Name:
2H-Benzo[b]quinolizin-2-one, 1,3,4,6,11,11a-hexahydro-7-hydroxy-8-methoxy-
CAS Number:
16675-73-3
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
7-hydroxy-8-methoxy-1,3,4,6,11,11a-hexahydrobenzo[b]quinolizin-2-one
InChI:
InChI=1S/C14H17NO3/c1-18-13-3-2-9-6-10-7-11(16)4-5-15(10)8-12(9)14(13)17/h2-3,10,17H,4-8H2,1H3
InChI Key:
HEMCOQYXESBSDK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1O)CN1C(C2)CC(=O)CC1
NSC Number:
131703
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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