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55119-00-1 | 7,7-dimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
CAS No: 55119-00-1 Catalog No: AG00E50P MDL No:MFCD09837269
Product Description
Catalog Number:
AG00E50P
Chemical Name:
7,7-dimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
CAS Number:
55119-00-1
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD09837269
IUPAC Name:
7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
InChI:
InChI=1S/C11H13NO2/c1-11(2)5-8-7(9(13)6-11)3-4-10(14)12-8/h3-4H,5-6H2,1-2H3,(H,12,14)
InChI Key:
SSJBKGDLBXMVBQ-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1ccc(=O)[nH]2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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