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1258431-03-6 | 2H-Quinolizine-3-carboxylic acid, octahydro-2-oxo-, ethyl ester
CAS No: 1258431-03-6 Catalog No: AG000OTE MDL No:
Product Description
Catalog Number:
AG000OTE
Chemical Name:
2H-Quinolizine-3-carboxylic acid, octahydro-2-oxo-, ethyl ester
CAS Number:
1258431-03-6
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
IUPAC Name:
ethyl 2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizine-3-carboxylate
InChI:
InChI=1S/C12H19NO3/c1-2-16-12(15)10-8-13-6-4-3-5-9(13)7-11(10)14/h9-10H,2-8H2,1H3
InChI Key:
VYRNHOMTMFKYMC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN2CCCCC2CC1=O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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