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78860-04-5 | 3-Quinolinecarbonitrile,1,2-dihydro-2-oxo-1-(phenylmethyl)-
CAS No: 78860-04-5 Catalog No: AG005P3Y MDL No:
Product Description
Catalog Number:
AG005P3Y
Chemical Name:
3-Quinolinecarbonitrile,1,2-dihydro-2-oxo-1-(phenylmethyl)-
CAS Number:
78860-04-5
Molecular Formula:
C17H12N2O
Molecular Weight:
260.2900
IUPAC Name:
1-benzyl-2-oxoquinoline-3-carbonitrile
InChI:
InChI=1S/C17H12N2O/c18-11-15-10-14-8-4-5-9-16(14)19(17(15)20)12-13-6-2-1-3-7-13/h1-10H,12H2
InChI Key:
AXXAPWVIXAWFQK-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccccc2n(c1=O)Cc1ccccc1
UNII:
8ODI8L8LDQ
NSC Number:
356352
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.296g/mol
Monoisotopic Mass:
260.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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