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190834-40-3 | 2-Propenal, 3-(2-quinolinyl)-
CAS No: 190834-40-3 Catalog No: AG002EUH MDL No:
Product Description
Catalog Number:
AG002EUH
Chemical Name:
2-Propenal, 3-(2-quinolinyl)-
CAS Number:
190834-40-3
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
IUPAC Name:
3-quinolin-2-ylprop-2-enal
InChI:
InChI=1S/C12H9NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11/h1-9H
InChI Key:
DIEFKJUFJHCQEE-UHFFFAOYSA-N
SMILES:
O=CC=Cc1ccc2c(n1)cccc2
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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