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63990-46-5 | 8-Propionyl-3-[3-(3-nitrophenyl)-2-propenyl]-3,8-diazabicyclo[3.2.1]octane
CAS No: 63990-46-5 Catalog No: AG00F6LD MDL No:
Product Description
Catalog Number:
AG00F6LD
Chemical Name:
8-Propionyl-3-[3-(3-nitrophenyl)-2-propenyl]-3,8-diazabicyclo[3.2.1]octane
CAS Number:
63990-46-5
IUPAC Name:
1-[3-[(E)-3-(3-nitrophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
InChI:
InChI=1S/C18H23N3O3/c1-2-18(22)20-16-8-9-17(20)13-19(12-16)10-4-6-14-5-3-7-15(11-14)21(23)24/h3-7,11,16-17H,2,8-10,12-13H2,1H3/b6-4+
InChI Key:
WPKXQUCVSYGYFP-GQCTYLIASA-N
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
329.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.4g/mol
Monoisotopic Mass:
329.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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