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1267409-40-4 | 1,4-Dioxino[2,3-g]isoquinoline, 2,3,6,7,8,9-hexahydro-9,9-dimethyl-
CAS No: 1267409-40-4 Catalog No: AG000T6B MDL No:
Product Description
Catalog Number:
AG000T6B
Chemical Name:
1,4-Dioxino[2,3-g]isoquinoline, 2,3,6,7,8,9-hexahydro-9,9-dimethyl-
CAS Number:
1267409-40-4
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
9,9-dimethyl-3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
InChI:
InChI=1S/C13H17NO2/c1-13(2)8-14-7-9-5-11-12(6-10(9)13)16-4-3-15-11/h5-6,14H,3-4,7-8H2,1-2H3
InChI Key:
CZTSLFPZVAJWIW-UHFFFAOYSA-N
SMILES:
CC1(C)CNCc2c1cc1OCCOc1c2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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