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Home > Other Building Blocks > 88311-32-4
88311-32-4 | 1,3-Cyclohexanedione, 5-[2,4,6-trimethyl-3-(methylthio)phenyl]-
CAS No: 88311-32-4 Catalog No: AG004854 MDL No:
Product Description
Catalog Number:
AG004854
Chemical Name:
1,3-Cyclohexanedione, 5-[2,4,6-trimethyl-3-(methylthio)phenyl]-
CAS Number:
88311-32-4
Molecular Formula:
C16H20O2S
Molecular Weight:
276.3938
IUPAC Name:
5-(2,4,6-trimethyl-3-methylsulfanylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C16H20O2S/c1-9-5-10(2)16(19-4)11(3)15(9)12-6-13(17)8-14(18)7-12/h5,12H,6-8H2,1-4H3
InChI Key:
OGQZETHGOWAHFH-UHFFFAOYSA-N
SMILES:
CSc1c(C)cc(c(c1C)C1CC(=O)CC(=O)C1)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.118g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.394g/mol
Monoisotopic Mass:
276.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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