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Home > Aldehydes > 168845-44-1
168845-44-1 | 8-Quinolinecarboxaldehyde, 4a,5,6,7,8,8a-hexahydro-5-oxo-
CAS No: 168845-44-1 Catalog No: AG001YC9 MDL No:
Product Description
Catalog Number:
AG001YC9
Chemical Name:
8-Quinolinecarboxaldehyde, 4a,5,6,7,8,8a-hexahydro-5-oxo-
CAS Number:
168845-44-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
5-oxo-6,7,8,8a-tetrahydro-4aH-quinoline-8-carbaldehyde
InChI:
InChI=1S/C10H11NO2/c12-6-7-3-4-9(13)8-2-1-5-11-10(7)8/h1-2,5-8,10H,3-4H2
InChI Key:
OXLCPNIZRXYMKL-UHFFFAOYSA-N
SMILES:
O=CC1CCC(=O)C2C1N=CC=C2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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