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15036-31-4 | Peroxide, bis(1-oxo-3-phenyl-2-propenyl) (9CI)
CAS No: 15036-31-4 Catalog No: AG001MKF MDL No:
Product Description
Catalog Number:
AG001MKF
Chemical Name:
Peroxide, bis(1-oxo-3-phenyl-2-propenyl) (9CI)
CAS Number:
15036-31-4
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
[(E)-3-phenylprop-2-enoyl] (E)-3-phenylprop-2-eneperoxoate
InChI:
InChI=1S/C18H14O4/c19-17(13-11-15-7-3-1-4-8-15)21-22-18(20)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
InChI Key:
YPWDLNYZZVNNKN-PHEQNACWSA-N
SMILES:
O=C(C=Cc1ccccc1)OOC(=O)C=Cc1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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