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16690-04-3 | 1,3-Cyclohexanedione, 2-benzoyl-5,5-dimethyl-
CAS No: 16690-04-3 Catalog No: AG001WZU MDL No:
Product Description
Catalog Number:
AG001WZU
Chemical Name:
1,3-Cyclohexanedione, 2-benzoyl-5,5-dimethyl-
CAS Number:
16690-04-3
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
2-benzoyl-5,5-dimethylcyclohexane-1,3-dione
InChI:
InChI=1S/C15H16O3/c1-15(2)8-11(16)13(12(17)9-15)14(18)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChI Key:
AHLHHZCMZTZXII-UHFFFAOYSA-N
SMILES:
O=C(C1C(=O)CC(CC1=O)(C)C)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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