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88176-47-0 | 1,3-Cyclohexanedione, 5-(4-methoxy-2,3,5,6-tetramethylphenyl)-
CAS No: 88176-47-0 Catalog No: AG004EVU MDL No:
Product Description
Catalog Number:
AG004EVU
Chemical Name:
1,3-Cyclohexanedione, 5-(4-methoxy-2,3,5,6-tetramethylphenyl)-
CAS Number:
88176-47-0
Molecular Formula:
C17H22O3
Molecular Weight:
274.3548
IUPAC Name:
5-(4-methoxy-2,3,5,6-tetramethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C17H22O3/c1-9-11(3)17(20-5)12(4)10(2)16(9)13-6-14(18)8-15(19)7-13/h13H,6-8H2,1-5H3
InChI Key:
YUXHWXNAXCXVKK-UHFFFAOYSA-N
SMILES:
COc1c(C)c(C)c(c(c1C)C)C1CC(=O)CC(=O)C1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.36g/mol
Monoisotopic Mass:
274.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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