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Home > Aldehydes > 880105-67-9
880105-67-9 | 3-Quinolinecarboxaldehyde, 1,2-dihydro-7-methoxy-2-thioxo-
CAS No: 880105-67-9 Catalog No: AG004KHL MDL No:
Product Description
Catalog Number:
AG004KHL
Chemical Name:
3-Quinolinecarboxaldehyde, 1,2-dihydro-7-methoxy-2-thioxo-
CAS Number:
880105-67-9
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
IUPAC Name:
7-methoxy-2-sulfanylidene-1H-quinoline-3-carbaldehyde
InChI:
InChI=1S/C11H9NO2S/c1-14-9-3-2-7-4-8(6-13)11(15)12-10(7)5-9/h2-6H,1H3,(H,12,15)
InChI Key:
NAQOIAVZTLYCGV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(=S)c(c2)C=O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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