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119022-15-0 | 2,5(1H,6H)-Quinolinedione, 7,8-dihydro-4-hydroxy-3-phenyl-
CAS No: 119022-15-0 Catalog No: AG000P2Q MDL No:
Product Description
Catalog Number:
AG000P2Q
Chemical Name:
2,5(1H,6H)-Quinolinedione, 7,8-dihydro-4-hydroxy-3-phenyl-
CAS Number:
119022-15-0
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
IUPAC Name:
4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
InChI:
InChI=1S/C15H13NO3/c17-11-8-4-7-10-13(11)14(18)12(15(19)16-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,16,18,19)
InChI Key:
KMMGNXSGOMDBMP-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c(O)c(c(=O)[nH]2)c1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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