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166398-22-7 | Isoquinoline, 2-(1,4-dioxaspiro[4.5]dec-8-yl)-1,2,3,4-tetrahydro-
CAS No: 166398-22-7 Catalog No: AG001WOQ MDL No:
Product Description
Catalog Number:
AG001WOQ
Chemical Name:
Isoquinoline, 2-(1,4-dioxaspiro[4.5]dec-8-yl)-1,2,3,4-tetrahydro-
CAS Number:
166398-22-7
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
IUPAC Name:
2-(1,4-dioxaspiro[4.5]decan-8-yl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C17H23NO2/c1-2-4-15-13-18(10-7-14(15)3-1)16-5-8-17(9-6-16)19-11-12-20-17/h1-4,16H,5-13H2
InChI Key:
IDKSYGHOQPBHTC-UHFFFAOYSA-N
SMILES:
C1COC2(O1)CCC(CC2)N1CCc2c(C1)cccc2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.376g/mol
Monoisotopic Mass:
273.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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