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Home > Pyridines > 138680-13-4
138680-13-4 | 1(2H)-Phenanthrenone, 3,4,5,6,7,8-hexahydro-2-(4-pyridinylmethyl)-
CAS No: 138680-13-4 Catalog No: AG0018ZN MDL No:
Product Description
Catalog Number:
AG0018ZN
Chemical Name:
1(2H)-Phenanthrenone, 3,4,5,6,7,8-hexahydro-2-(4-pyridinylmethyl)-
CAS Number:
138680-13-4
Molecular Formula:
C20H21NO
Molecular Weight:
291.3868
IUPAC Name:
2-(pyridin-4-ylmethyl)-3,4,5,6,7,8-hexahydro-2H-phenanthren-1-one
InChI:
InChI=1S/C20H21NO/c22-20-16(13-14-9-11-21-12-10-14)6-7-18-17-4-2-1-3-15(17)5-8-19(18)20/h5,8-12,16H,1-4,6-7,13H2
InChI Key:
MNAPGGQTVKMYIU-UHFFFAOYSA-N
SMILES:
O=C1C(CCc2c1ccc1c2CCCC1)Cc1ccncc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.394g/mol
Monoisotopic Mass:
291.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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