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Home > Other Building Blocks > 88311-17-5
88311-17-5 | 1,3-Cyclohexanedione, 5-(3-acetyl-2,4,6-trimethylphenyl)-
CAS No: 88311-17-5 Catalog No: AG0048NJ MDL No:
Product Description
Catalog Number:
AG0048NJ
Chemical Name:
1,3-Cyclohexanedione, 5-(3-acetyl-2,4,6-trimethylphenyl)-
CAS Number:
88311-17-5
Molecular Formula:
C17H20O3
Molecular Weight:
272.3389
IUPAC Name:
5-(3-acetyl-2,4,6-trimethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C17H20O3/c1-9-5-10(2)17(11(3)16(9)12(4)18)13-6-14(19)8-15(20)7-13/h5,13H,6-8H2,1-4H3
InChI Key:
OITSDHVHWXJFAL-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1c(C)cc(c(c1C)C(=O)C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.141g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.344g/mol
Monoisotopic Mass:
272.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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