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80162-58-9 | 6-Quinolinecarboxaldehyde, 1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-
CAS No: 80162-58-9 Catalog No: AG005O2I MDL No:
Product Description
Catalog Number:
AG005O2I
Chemical Name:
6-Quinolinecarboxaldehyde, 1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-
CAS Number:
80162-58-9
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
InChI:
InChI=1S/C15H21NO/c1-5-16-14-7-6-12(10-17)8-13(14)11(2)9-15(16,3)4/h6-8,10-11H,5,9H2,1-4H3
InChI Key:
FUTDNPDMUTWSAW-UHFFFAOYSA-N
SMILES:
CCN1c2ccc(cc2C(CC1(C)C)C)C=O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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