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116709-48-9 | Pentanamide, N-9-phenanthrenyl-2-propyl-
CAS No: 116709-48-9 Catalog No: AG000D5N MDL No:
Product Description
Catalog Number:
AG000D5N
Chemical Name:
Pentanamide, N-9-phenanthrenyl-2-propyl-
CAS Number:
116709-48-9
Molecular Formula:
C22H25NO
Molecular Weight:
319.4400
IUPAC Name:
N-phenanthren-9-yl-2-propylpentanamide
InChI:
InChI=1S/C22H25NO/c1-3-9-16(10-4-2)22(24)23-21-15-17-11-5-6-12-18(17)19-13-7-8-14-20(19)21/h5-8,11-16H,3-4,9-10H2,1-2H3,(H,23,24)
InChI Key:
CLUYVWATZFYMJM-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)Nc1cc2ccccc2c2c1cccc2)CCC
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.448g/mol
Monoisotopic Mass:
319.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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