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1915985-30-6 | 5,5,7,7-TETRAMETHYL-2-OXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE
CAS No: 1915985-30-6 Catalog No: AG01EJTL MDL No:MFCD26274441
Product Description
Catalog Number:
AG01EJTL
Chemical Name:
5,5,7,7-TETRAMETHYL-2-OXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE
CAS Number:
1915985-30-6
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
MDL Number:
MFCD26274441
IUPAC Name:
5,5,7,7-tetramethyl-2-oxo-6,8-dihydro-3H-quinoline-3-carbonitrile
InChI:
InChI=1S/C14H18N2O/c1-13(2)6-11-10(14(3,4)8-13)5-9(7-15)12(17)16-11/h5,9H,6,8H2,1-4H3
InChI Key:
YZVVHCCQIORUHZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c([nH]c1=O)CC(CC2(C)C)(C)C
Properties
Complexity:
486
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:
0
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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