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89055-68-5 | 1-Penten-3-one, 1-ethoxy-2-(4-pyridinyl)-
CAS No: 89055-68-5 Catalog No: AG0087SE MDL No:
Product Description
Catalog Number:
AG0087SE
Chemical Name:
1-Penten-3-one, 1-ethoxy-2-(4-pyridinyl)-
CAS Number:
89055-68-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
1-ethoxy-2-pyridin-4-ylpent-1-en-3-one
InChI:
InChI=1S/C12H15NO2/c1-3-12(14)11(9-15-4-2)10-5-7-13-8-6-10/h5-9H,3-4H2,1-2H3
InChI Key:
DXAZRERQWGCIIB-UHFFFAOYSA-N
SMILES:
CCC(=O)C(=COCC)c1ccncc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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