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131261-65-9 | 1,5-Pentanedione, 2-methyl-4-methylene-1,3,5-triphenyl-
CAS No: 131261-65-9 Catalog No: AG000VTV MDL No:
Product Description
Catalog Number:
AG000VTV
Chemical Name:
1,5-Pentanedione, 2-methyl-4-methylene-1,3,5-triphenyl-
CAS Number:
131261-65-9
Molecular Formula:
C25H22O2
Molecular Weight:
354.4410
IUPAC Name:
2-methyl-4-methylidene-1,3,5-triphenylpentane-1,5-dione
InChI:
InChI=1S/C25H22O2/c1-18(24(26)21-14-8-4-9-15-21)23(20-12-6-3-7-13-20)19(2)25(27)22-16-10-5-11-17-22/h3-17,19,23H,1H2,2H3
InChI Key:
BCFFUTDQTAOCOQ-UHFFFAOYSA-N
SMILES:
CC(C(C(=C)C(=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.162g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.449g/mol
Monoisotopic Mass:
354.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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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