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13935-95-0 | 1H-Indene-1,3(2H)-dione, 2-[3-(1,1-dimethylethyl)phenyl]-
CAS No: 13935-95-0 Catalog No: AG001AT5 MDL No:
Product Description
Catalog Number:
AG001AT5
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-[3-(1,1-dimethylethyl)phenyl]-
CAS Number:
13935-95-0
Molecular Formula:
C19H18O2
Molecular Weight:
278.3450
IUPAC Name:
2-(3-tert-butylphenyl)indene-1,3-dione
InChI:
InChI=1S/C19H18O2/c1-19(2,3)13-8-6-7-12(11-13)16-17(20)14-9-4-5-10-15(14)18(16)21/h4-11,16H,1-3H3
InChI Key:
AHFXBVNXQOEBAE-UHFFFAOYSA-N
SMILES:
O=C1C(c2cccc(c2)C(C)(C)C)C(=O)c2c1cccc2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.351g/mol
Monoisotopic Mass:
278.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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