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Home > Pyridines > 137479-75-5
137479-75-5 | 2,4-Pentadienoic acid, 3-methyl-5-(3-pyridinyl)-, ethyl ester, (2E,4E)-
CAS No: 137479-75-5 Catalog No: AG0013BZ MDL No:
Product Description
Catalog Number:
AG0013BZ
Chemical Name:
2,4-Pentadienoic acid, 3-methyl-5-(3-pyridinyl)-, ethyl ester, (2E,4E)-
CAS Number:
137479-75-5
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
ethyl 3-methyl-5-pyridin-3-ylpenta-2,4-dienoate
InChI:
InChI=1S/C13H15NO2/c1-3-16-13(15)9-11(2)6-7-12-5-4-8-14-10-12/h4-10H,3H2,1-2H3
InChI Key:
LQESALBUOCBSMX-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/C=C/c1cccnc1)\C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.8
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