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Home > Other Heterocycles > 88502-97-0
88502-97-0 | 6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-6-(3,4,5-trimethoxybenzoyl)-
CAS No: 88502-97-0 Catalog No: AG00494X MDL No:
Product Description
Catalog Number:
AG00494X
Chemical Name:
6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-6-(3,4,5-trimethoxybenzoyl)-
CAS Number:
88502-97-0
Molecular Formula:
C20H29NO4
Molecular Weight:
347.4486
IUPAC Name:
(3,4,5-trimethoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
InChI:
InChI=1S/C20H29NO4/c1-19(2)9-14-10-20(3,11-19)12-21(14)18(22)13-7-15(23-4)17(25-6)16(8-13)24-5/h7-8,14H,9-12H2,1-6H3
InChI Key:
JDVYNVZDVBFWAM-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)N1CC2(CC1CC(C2)(C)C)C
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.21g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.455g/mol
Monoisotopic Mass:
347.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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