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506418-57-1 | 3,6,7,8-tetrahydro-2H-spiro[[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]
CAS No: 506418-57-1 Catalog No: AG019Y97 MDL No:MFCD00439343
Product Description
Catalog Number:
AG019Y97
Chemical Name:
3,6,7,8-tetrahydro-2H-spiro[[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]
CAS Number:
506418-57-1
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
MDL Number:
MFCD00439343
IUPAC Name:
spiro[3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]
InChI:
InChI=1S/C15H19NO2/c1-2-4-15(3-1)10-16-9-11-7-13-14(8-12(11)15)18-6-5-17-13/h7-8,16H,1-6,9-10H2
InChI Key:
JLFRUCXKFPXUHX-UHFFFAOYSA-N
SMILES:
C1CCC2(C1)CNCc1c2cc2OCCOc2c1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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