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72804-91-2 | 8-ethylquinoline-2-carbaldehyde
CAS No: 72804-91-2 Catalog No: AG01DWMR MDL No:MFCD06824203
Product Description
Catalog Number:
AG01DWMR
Chemical Name:
8-ethylquinoline-2-carbaldehyde
CAS Number:
72804-91-2
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD06824203
IUPAC Name:
8-ethylquinoline-2-carbaldehyde
InChI:
InChI=1S/C12H11NO/c1-2-9-4-3-5-10-6-7-11(8-14)13-12(9)10/h3-8H,2H2,1H3
InChI Key:
PINCBNHEGPSKFB-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1nc(C=O)cc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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