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123183-98-2 | 1,4-Pentanedione, 1-(2-naphthalenyl)-
CAS No: 123183-98-2 Catalog No: AG000K4R MDL No:
Product Description
Catalog Number:
AG000K4R
Chemical Name:
1,4-Pentanedione, 1-(2-naphthalenyl)-
CAS Number:
123183-98-2
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
1-naphthalen-2-ylpentane-1,4-dione
InChI:
InChI=1S/C15H14O2/c1-11(16)6-9-15(17)14-8-7-12-4-2-3-5-13(12)10-14/h2-5,7-8,10H,6,9H2,1H3
InChI Key:
LDLFCZYWHIIMJZ-UHFFFAOYSA-N
SMILES:
CC(=O)CCC(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^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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