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1268129-76-5 | 6-tert-butyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 1268129-76-5 Catalog No: AG01AGZD MDL No:MFCD16437743
Product Description
Catalog Number:
AG01AGZD
Chemical Name:
6-tert-butyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
1268129-76-5
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
MDL Number:
MFCD16437743
IUPAC Name:
6-tert-butyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C14H18N2O/c1-14(2,3)11-4-5-12-9(7-11)6-10(8-15)13(17)16-12/h6,11H,4-5,7H2,1-3H3,(H,16,17)
InChI Key:
VNBVTUUAQZOGDB-UHFFFAOYSA-N
SMILES:
N#Cc1cc2CC(CCc2[nH]c1=O)C(C)(C)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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