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1099685-16-1 | 2-methyl-3-(2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)propanenitrile
CAS No: 1099685-16-1 Catalog No: AG01AFOU MDL No:MFCD11552215
Product Description
Catalog Number:
AG01AFOU
Chemical Name:
2-methyl-3-(2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)propanenitrile
CAS Number:
1099685-16-1
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD11552215
IUPAC Name:
2-methyl-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanenitrile
InChI:
InChI=1S/C13H14N2O/c1-10(8-14)9-15-12-5-3-2-4-11(12)6-7-13(15)16/h2-5,10H,6-7,9H2,1H3
InChI Key:
BPXNXGUXHBPAFR-UHFFFAOYSA-N
SMILES:
N#CC(CN1C(=O)CCc2c1cccc2)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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