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10496-80-7 | 2-Butene-1,4-dione, 1,2,3,4-tetraphenyl-, (E)-
CAS No: 10496-80-7 Catalog No: AG0085I1 MDL No:
Product Description
Catalog Number:
AG0085I1
Chemical Name:
2-Butene-1,4-dione, 1,2,3,4-tetraphenyl-, (E)-
CAS Number:
10496-80-7
Molecular Formula:
C28H20O2
Molecular Weight:
388.4572
IUPAC Name:
1,2,3,4-tetraphenylbut-2-ene-1,4-dione
InChI:
InChI=1S/C28H20O2/c29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30)24-19-11-4-12-20-24/h1-20H
InChI Key:
BNSSPRIZPRPVAS-UHFFFAOYSA-N
SMILES:
O=C(/C(=C(/C(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.146g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.466g/mol
Monoisotopic Mass:
388.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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