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13249-75-7 | 2-Butene-1,4-dione, 1,2,4-triphenyl-, (2Z)-
CAS No: 13249-75-7 Catalog No: AG0010QU MDL No:
Product Description
Catalog Number:
AG0010QU
Chemical Name:
2-Butene-1,4-dione, 1,2,4-triphenyl-, (2Z)-
CAS Number:
13249-75-7
Molecular Formula:
C22H16O2
Molecular Weight:
312.3612
IUPAC Name:
1,2,4-triphenylbut-2-ene-1,4-dione
InChI:
InChI=1S/C22H16O2/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-16H
InChI Key:
MEBZZSFHCRISAQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C(\C(=O)c1ccccc1)/c1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.368g/mol
Monoisotopic Mass:
312.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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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