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89185-82-0 | 2,4-Pentanedione, 3-(4-acetylphenyl)-
CAS No: 89185-82-0 Catalog No: AG004TP4 MDL No:
Product Description
Catalog Number:
AG004TP4
Chemical Name:
2,4-Pentanedione, 3-(4-acetylphenyl)-
CAS Number:
89185-82-0
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
3-(4-acetylphenyl)pentane-2,4-dione
InChI:
InChI=1S/C13H14O3/c1-8(14)11-4-6-12(7-5-11)13(9(2)15)10(3)16/h4-7,13H,1-3H3
InChI Key:
UQCJMUMQGGPUPL-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)C(C(=O)C)C(=O)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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