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106551-83-1 | 2,5(1H,6H)-Quinolinedione, 7,8-dihydro-7-phenyl-
CAS No: 106551-83-1 Catalog No: AG007CDR MDL No:
Product Description
Catalog Number:
AG007CDR
Chemical Name:
2,5(1H,6H)-Quinolinedione, 7,8-dihydro-7-phenyl-
CAS Number:
106551-83-1
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
InChI:
InChI=1S/C15H13NO2/c17-14-9-11(10-4-2-1-3-5-10)8-13-12(14)6-7-15(18)16-13/h1-7,11H,8-9H2,(H,16,18)
InChI Key:
ZCVVEBSDEUINLS-UHFFFAOYSA-N
SMILES:
O=C1CC(Cc2c1ccc(=O)[nH]2)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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