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100063-12-5 | 2-Quinolinecarboxaldehyde,6-ethoxy-(9CI)
CAS No: 100063-12-5 Catalog No: AG009RP3 MDL No:MFCD06824183
Product Description
Catalog Number:
AG009RP3
Chemical Name:
2-Quinolinecarboxaldehyde,6-ethoxy-(9CI)
CAS Number:
100063-12-5
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD06824183
IUPAC Name:
6-ethoxyquinoline-2-carbaldehyde
InChI:
InChI=1S/C12H11NO2/c1-2-15-11-5-6-12-9(7-11)3-4-10(8-14)13-12/h3-8H,2H2,1H3
InChI Key:
WRZJIHGBMXGHAJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)ccc(n2)C=O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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