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119777-71-8 | Spiro[1,3-dioxolo[4,5-g]isoquinoline-5(6H),7'-[7H]indeno[4,5-d][1,3]dioxole], 6',7,8,8'-tetrahydro-6-methyl-6'-methylene-, (5S)-
CAS No: 119777-71-8 Catalog No: AG000PMB MDL No:
Product Description
Catalog Number:
AG000PMB
Chemical Name:
Spiro[1,3-dioxolo[4,5-g]isoquinoline-5(6H),7'-[7H]indeno[4,5-d][1,3]dioxole], 6',7,8,8'-tetrahydro-6-methyl-6'-methylene-, (5S)-
CAS Number:
119777-71-8
Molecular Formula:
C21H19NO4
Molecular Weight:
349.3799
IUPAC Name:
6-methyl-6'-methylidenespiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]
InChI:
InChI=1S/C21H19NO4/c1-12-14-3-4-17-20(26-11-23-17)15(14)9-21(12)16-8-19-18(24-10-25-19)7-13(16)5-6-22(21)2/h3-4,7-8H,1,5-6,9-11H2,2H3
InChI Key:
OQSIZYHRQJSBSK-UHFFFAOYSA-N
SMILES:
CN1CCc2c([C@]31Cc1c(C3=C)ccc3c1OCO3)cc1c(c2)OCO1
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.386g/mol
Monoisotopic Mass:
349.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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