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89201-27-4 | 2-Pentene-1,4-dione, 3-benzoyl-1-(4-methylphenyl)-
CAS No: 89201-27-4 Catalog No: AG004578 MDL No:
Product Description
Catalog Number:
AG004578
Chemical Name:
2-Pentene-1,4-dione, 3-benzoyl-1-(4-methylphenyl)-
CAS Number:
89201-27-4
Molecular Formula:
C19H16O3
Molecular Weight:
292.3285
IUPAC Name:
3-benzoyl-1-(4-methylphenyl)pent-2-ene-1,4-dione
InChI:
InChI=1S/C19H16O3/c1-13-8-10-15(11-9-13)18(21)12-17(14(2)20)19(22)16-6-4-3-5-7-16/h3-12H,1-2H3
InChI Key:
HIKCUTCNNSSMPK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C=C(C(=O)c1ccccc1)C(=O)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.334g/mol
Monoisotopic Mass:
292.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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