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Home > Pyridines > 113388-29-7
113388-29-7 | 2,4-Pentadienal, 5-(3-pyridinyl)-, (2E,4E)-
CAS No: 113388-29-7 Catalog No: AG0008ET MDL No:
Product Description
Catalog Number:
AG0008ET
Chemical Name:
2,4-Pentadienal, 5-(3-pyridinyl)-, (2E,4E)-
CAS Number:
113388-29-7
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
5-pyridin-3-ylpenta-2,4-dienal
InChI:
InChI=1S/C10H9NO/c12-8-3-1-2-5-10-6-4-7-11-9-10/h1-9H
InChI Key:
CDVQBIKHWBICDM-UHFFFAOYSA-N
SMILES:
O=C/C=C/C=C/c1cccnc1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.2
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