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89667-45-8 | 9-Decenoic acid, 10-phenyl-10-(3-pyridinyl)-, (Z)-
CAS No: 89667-45-8 Catalog No: AG0043TD MDL No:
Product Description
Catalog Number:
AG0043TD
Chemical Name:
9-Decenoic acid, 10-phenyl-10-(3-pyridinyl)-, (Z)-
CAS Number:
89667-45-8
Molecular Formula:
C21H25NO2
Molecular Weight:
323.4287
IUPAC Name:
10-phenyl-10-pyridin-3-yldec-9-enoic acid
InChI:
InChI=1S/C21H25NO2/c23-21(24)15-9-4-2-1-3-8-14-20(18-11-6-5-7-12-18)19-13-10-16-22-17-19/h5-7,10-14,16-17H,1-4,8-9,15H2,(H,23,24)
InChI Key:
JUQQBSODJNVOJH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCC/C=C(\c1cccnc1)/c1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.436g/mol
Monoisotopic Mass:
323.189g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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