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130156-58-0 | 3-Hexen-1-one, 1-(8-quinolinyl)-
CAS No: 130156-58-0 Catalog No: AG000U2M MDL No:
Product Description
Catalog Number:
AG000U2M
Chemical Name:
3-Hexen-1-one, 1-(8-quinolinyl)-
CAS Number:
130156-58-0
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
1-quinolin-8-ylhex-3-en-1-one
InChI:
InChI=1S/C15H15NO/c1-2-3-4-10-14(17)13-9-5-7-12-8-6-11-16-15(12)13/h3-9,11H,2,10H2,1H3
InChI Key:
VXFAYTYACIIYSH-UHFFFAOYSA-N
SMILES:
CCC=CCC(=O)c1cccc2c1nccc2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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