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89860-34-4 | 2-Nonenoic acid, 3-methyl-5-(2-pyridinyl)-, ethyl ester, (Z)-
CAS No: 89860-34-4 Catalog No: AG003WR8 MDL No:
Product Description
Catalog Number:
AG003WR8
Chemical Name:
2-Nonenoic acid, 3-methyl-5-(2-pyridinyl)-, ethyl ester, (Z)-
CAS Number:
89860-34-4
Molecular Formula:
C17H25NO2
Molecular Weight:
275.3859
IUPAC Name:
ethyl 3-methyl-5-pyridin-2-ylnon-2-enoate
InChI:
InChI=1S/C17H25NO2/c1-4-6-9-15(16-10-7-8-11-18-16)12-14(3)13-17(19)20-5-2/h7-8,10-11,13,15H,4-6,9,12H2,1-3H3
InChI Key:
LFRAUYXMCZOOSI-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccccn1)C/C(=C\C(=O)OCC)/C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.392g/mol
Monoisotopic Mass:
275.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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