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Home > Quinoline > 1248123-19-4
1248123-19-4 | 2-oxo-6-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 1248123-19-4 Catalog No: AG01AAWO MDL No:MFCD16070456
Product Description
Catalog Number:
AG01AAWO
Chemical Name:
2-oxo-6-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
1248123-19-4
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD16070456
IUPAC Name:
2-oxo-6-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C13H16N2O/c1-2-3-9-4-5-12-10(6-9)7-11(8-14)13(16)15-12/h7,9H,2-6H2,1H3,(H,15,16)
InChI Key:
VRGPJXPSLBUITF-UHFFFAOYSA-N
SMILES:
CCCC1Cc2cc(C#N)c(=O)[nH]c2CC1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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