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529-78-2

529-78-2 | 1,5-Methano-8H-pyrido(1,2-a)(1,4)diazocin-8-one, 3-(3-butenyl)-1,2,3,4 ,5,6-hexahydro-, (1R)-

CAS No: 529-78-2 Catalog No: AG00E09G MDL No:

Product Description

Catalog Number:
AG00E09G
Chemical Name:
1,5-Methano-8H-pyrido(1,2-a)(1,4)diazocin-8-one, 3-(3-butenyl)-1,2,3,4 ,5,6-hexahydro-, (1R)-
CAS Number:
529-78-2
IUPAC Name:
(1R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
InChI:
InChI=1S/C15H20N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,4-6,12-13H,1,3,7-11H2/t12-,13+/m0/s1
InChI Key:
ZVTFRRVBMAUIQW-QWHCGFSZSA-N

Properties

Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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