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2491-41-0 | 3-Buten-1-one, 1,2,4,4-tetraphenyl-
CAS No: 2491-41-0 Catalog No: AG002PUD MDL No:
Product Description
Catalog Number:
AG002PUD
Chemical Name:
3-Buten-1-one, 1,2,4,4-tetraphenyl-
CAS Number:
2491-41-0
Molecular Formula:
C28H22O
Molecular Weight:
374.4737
IUPAC Name:
1,2,4,4-tetraphenylbut-3-en-1-one
InChI:
InChI=1S/C28H22O/c29-28(25-19-11-4-12-20-25)27(24-17-9-3-10-18-24)21-26(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-21,27H
InChI Key:
KBMHRYDKAAPEIA-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)C=C(c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.167g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.483g/mol
Monoisotopic Mass:
374.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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