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Home > Aldehydes > 118672-67-6
118672-67-6 | 3-Quinolinecarboxaldehyde, 1,2-dihydro-1,6-dimethyl-2-oxo-
CAS No: 118672-67-6 Catalog No: AG0075QO MDL No:
Product Description
Catalog Number:
AG0075QO
Chemical Name:
3-Quinolinecarboxaldehyde, 1,2-dihydro-1,6-dimethyl-2-oxo-
CAS Number:
118672-67-6
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
1,6-dimethyl-2-oxoquinoline-3-carbaldehyde
InChI:
InChI=1S/C12H11NO2/c1-8-3-4-11-9(5-8)6-10(7-14)12(15)13(11)2/h3-7H,1-2H3
InChI Key:
MFPNHTKDHVUBRI-UHFFFAOYSA-N
SMILES:
O=Cc1cc2cc(C)ccc2n(c1=O)C
Properties
Complexity:
322
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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