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859929-66-1 | 4-Quinolinecarbonitrile,2-butoxy-
CAS No: 859929-66-1 Catalog No: AG004M66 MDL No:MFCD16878382
Product Description
Catalog Number:
AG004M66
Chemical Name:
4-Quinolinecarbonitrile,2-butoxy-
CAS Number:
859929-66-1
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
MDL Number:
MFCD16878382
IUPAC Name:
2-butoxyquinoline-4-carbonitrile
InChI:
InChI=1S/C14H14N2O/c1-2-3-8-17-14-9-11(10-15)12-6-4-5-7-13(12)16-14/h4-7,9H,2-3,8H2,1H3
InChI Key:
QYRIZYDYOGNHFH-UHFFFAOYSA-N
SMILES:
CCCCOc1nc2ccccc2c(c1)C#N
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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