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77821-73-9 | 4-(4-Methoxy-phenyl)-2-oxo-1,2,5,6,7,8-hexahydro-quinoline-3-carbonitrile
CAS No: 77821-73-9 Catalog No: AG01EXDJ MDL No:
Product Description
Catalog Number:
AG01EXDJ
Chemical Name:
4-(4-Methoxy-phenyl)-2-oxo-1,2,5,6,7,8-hexahydro-quinoline-3-carbonitrile
CAS Number:
77821-73-9
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
4-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C17H16N2O2/c1-21-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)19-17(20)14(16)10-18/h6-9H,2-5H2,1H3,(H,19,20)
InChI Key:
WVMKMEZHYXURSG-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c2c(c1c1ccc(cc1)OC)CCCC2
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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