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89201-28-5 | 2-Pentene-1,4-dione, 3-benzoyl-1-(4-methoxyphenyl)-
CAS No: 89201-28-5 Catalog No: AG004577 MDL No:
Product Description
Catalog Number:
AG004577
Chemical Name:
2-Pentene-1,4-dione, 3-benzoyl-1-(4-methoxyphenyl)-
CAS Number:
89201-28-5
Molecular Formula:
C19H16O4
Molecular Weight:
308.3279
IUPAC Name:
3-benzoyl-1-(4-methoxyphenyl)pent-2-ene-1,4-dione
InChI:
InChI=1S/C19H16O4/c1-13(20)17(19(22)15-6-4-3-5-7-15)12-18(21)14-8-10-16(23-2)11-9-14/h3-12H,1-2H3
InChI Key:
GKZNTXDJHWJXEV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=C(C(=O)c1ccccc1)C(=O)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.105g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.333g/mol
Monoisotopic Mass:
308.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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