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16237-19-7 | 2,5(1H,3H)-Quinolinedione, 4,6,7,8-tetrahydro-1-(phenylmethyl)-
CAS No: 16237-19-7 Catalog No: AG001T23 MDL No:
Product Description
Catalog Number:
AG001T23
Chemical Name:
2,5(1H,3H)-Quinolinedione, 4,6,7,8-tetrahydro-1-(phenylmethyl)-
CAS Number:
16237-19-7
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
1-benzyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
InChI:
InChI=1S/C16H17NO2/c18-15-8-4-7-14-13(15)9-10-16(19)17(14)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChI Key:
KMYUULWEEGYKBR-UHFFFAOYSA-N
SMILES:
O=C1CCC2=C(N1Cc1ccccc1)CCCC2=O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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