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14094-65-6 | 1H-Indene-1,3(2H)-dione, 2-(6-methyl-2-pyridinyl)-
CAS No: 14094-65-6 Catalog No: AG001FOM MDL No:
Product Description
Catalog Number:
AG001FOM
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(6-methyl-2-pyridinyl)-
CAS Number:
14094-65-6
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
2-(6-methylpyridin-2-yl)indene-1,3-dione
InChI:
InChI=1S/C15H11NO2/c1-9-5-4-8-12(16-9)13-14(17)10-6-2-3-7-11(10)15(13)18/h2-8,13H,1H3
InChI Key:
RZAUIVAIJGPMRF-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)C1C(=O)c2c(C1=O)cccc2
NSC Number:
162717
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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