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896662-50-3 | 6',6',8'-trimethyl-5',6'-dihydrospiro[cycloheptane-1,4'-pyrrolo[3,2,1-ij]quinoline]-1',2'-dione
CAS No: 896662-50-3 Catalog No: AG018WPG MDL No:
Product Description
Catalog Number:
AG018WPG
Chemical Name:
6',6',8'-trimethyl-5',6'-dihydrospiro[cycloheptane-1,4'-pyrrolo[3,2,1-ij]quinoline]-1',2'-dione
CAS Number:
896662-50-3
Molecular Formula:
C20H25NO2
Molecular Weight:
311.4180
IUPAC Name:
6,9,9-trimethylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-11,1'-cycloheptane]-2,3-dione
InChI:
InChI=1S/C20H25NO2/c1-13-10-14-16-15(11-13)19(2,3)12-20(8-6-4-5-7-9-20)21(16)18(23)17(14)22/h10-11H,4-9,12H2,1-3H3
InChI Key:
PDZHFQIYMYHWBH-UHFFFAOYSA-N
SMILES:
Cc1cc2C(=O)C(=O)N3c2c(c1)C(C)(C)CC13CCCCCC1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.425g/mol
Monoisotopic Mass:
311.189g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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