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83260-82-6 | 2,2-diMethyl-5-(quinolin-2-yl)-1,3-dioxane-4,6-dione
CAS No: 83260-82-6 Catalog No: AG00GAP3 MDL No:MFCD13248918
Product Description
Catalog Number:
AG00GAP3
Chemical Name:
2,2-diMethyl-5-(quinolin-2-yl)-1,3-dioxane-4,6-dione
CAS Number:
83260-82-6
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
MDL Number:
MFCD13248918
IUPAC Name:
2,2-dimethyl-5-quinolin-2-yl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C15H13NO4/c1-15(2)19-13(17)12(14(18)20-15)11-8-7-9-5-3-4-6-10(9)16-11/h3-8,12H,1-2H3
InChI Key:
QMQLTUAVQDDWQS-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1c1ccc2c(n1)cccc2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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