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685138-88-9 | 4H-Quinolizin-4-one,9-ethyloctahydro-6-(hydroxymethyl)-,(6S,9R,9aS)-(9CI)
CAS No: 685138-88-9 Catalog No: AG00FSEU MDL No:
Product Description
Catalog Number:
AG00FSEU
Chemical Name:
4H-Quinolizin-4-one,9-ethyloctahydro-6-(hydroxymethyl)-,(6S,9R,9aS)-(9CI)
CAS Number:
685138-88-9
IUPAC Name:
(6S,9R,9aS)-9-ethyl-6-(hydroxymethyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
InChI:
InChI=1S/C12H21NO2/c1-2-9-6-7-10(8-14)13-11(9)4-3-5-12(13)15/h9-11,14H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChI Key:
JZXYZSCSESZFNJ-VWYCJHECSA-N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
211.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.305g/mol
Monoisotopic Mass:
211.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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