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89668-27-9 | 9-Decenoic acid, 10-phenyl-10-(3-pyridinyl)-, methyl ester, (E)-
CAS No: 89668-27-9 Catalog No: AG0044K5 MDL No:
Product Description
Catalog Number:
AG0044K5
Chemical Name:
9-Decenoic acid, 10-phenyl-10-(3-pyridinyl)-, methyl ester, (E)-
CAS Number:
89668-27-9
Molecular Formula:
C22H27NO2
Molecular Weight:
337.4553
IUPAC Name:
methyl 10-phenyl-10-pyridin-3-yldec-9-enoate
InChI:
InChI=1S/C22H27NO2/c1-25-22(24)16-10-5-3-2-4-9-15-21(19-12-7-6-8-13-19)20-14-11-17-23-18-20/h6-8,11-15,17-18H,2-5,9-10,16H2,1H3
InChI Key:
CIXFWOVLRJMYAY-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCC/C=C(/c1cccnc1)\c1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.204g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.463g/mol
Monoisotopic Mass:
337.204g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
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