200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88175-70-6
88175-70-6 | 1,3-Cyclohexanedione, 2-(1-oxopropyl)-5-(2,4,6-triethylphenyl)-
CAS No: 88175-70-6 Catalog No: AG004F07 MDL No:
Product Description
Catalog Number:
AG004F07
Chemical Name:
1,3-Cyclohexanedione, 2-(1-oxopropyl)-5-(2,4,6-triethylphenyl)-
CAS Number:
88175-70-6
Molecular Formula:
C21H28O3
Molecular Weight:
328.4452
IUPAC Name:
2-propanoyl-5-(2,4,6-triethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C21H28O3/c1-5-13-9-14(6-2)20(15(7-3)10-13)16-11-18(23)21(17(22)8-4)19(24)12-16/h9-10,16,21H,5-8,11-12H2,1-4H3
InChI Key:
SQEDOZSIKIPLII-UHFFFAOYSA-N
SMILES:
CCC(=O)C1C(=O)CC(CC1=O)c1c(CC)cc(cc1CC)CC
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.204g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.452g/mol
Monoisotopic Mass:
328.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.