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Home > Quinoline > 172678-61-4
172678-61-4 | 2-Propenal, 3-(4-quinolinyl)-, (2E)-
CAS No: 172678-61-4 Catalog No: AG007VPI MDL No:
Product Description
Catalog Number:
AG007VPI
Chemical Name:
2-Propenal, 3-(4-quinolinyl)-, (2E)-
CAS Number:
172678-61-4
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
IUPAC Name:
3-quinolin-4-ylprop-2-enal
InChI:
InChI=1S/C12H9NO/c14-9-3-4-10-7-8-13-12-6-2-1-5-11(10)12/h1-9H
InChI Key:
LXRUOSHDDMLKFF-UHFFFAOYSA-N
SMILES:
O=C/C=C/c1ccnc2c1cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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