Home Carboxys tert-butyl 6-oxo-decahydroquinoline-1-carboxylate

tert-butyl 6-oxo-decahydroquinoline-1-carboxylate

CAS No.:
1784226-96-5
Catalog Number:
AG01C1PW
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
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Product Description
Catalog Number:
AG01C1PW
Chemical Name:
tert-butyl 6-oxo-decahydroquinoline-1-carboxylate
CAS Number:
1784226-96-5
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
MDL Number:
MFCD24848166
IUPAC Name:
tert-butyl 6-oxo-2,3,4,4a,5,7,8,8a-octahydroquinoline-1-carboxylate
InChI:
InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-8-4-5-10-9-11(16)6-7-12(10)15/h10,12H,4-9H2,1-3H3
InChI Key:
HYDOUHWCXIKCKM-UHFFFAOYSA-N
SMILES:
O=C1CCC2C(C1)CCCN2C(=O)OC(C)(C)C
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.168g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.342g/mol
Monoisotopic Mass:
253.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties