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89667-42-5 | 7-Octenoic acid, 8-phenyl-8-(3-pyridinyl)-, (E)-
CAS No: 89667-42-5 Catalog No: AG0044KT MDL No:
Product Description
Catalog Number:
AG0044KT
Chemical Name:
7-Octenoic acid, 8-phenyl-8-(3-pyridinyl)-, (E)-
CAS Number:
89667-42-5
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
IUPAC Name:
8-phenyl-8-pyridin-3-yloct-7-enoic acid
InChI:
InChI=1S/C19H21NO2/c21-19(22)13-7-2-1-6-12-18(16-9-4-3-5-10-16)17-11-8-14-20-15-17/h3-5,8-12,14-15H,1-2,6-7,13H2,(H,21,22)
InChI Key:
WSPYFANRPUFZCC-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC/C=C(/c1cccnc1)\c1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.382g/mol
Monoisotopic Mass:
295.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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