Home Other Building Blocks 5,5-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]cyclohexane-1,3-dione

5,5-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]cyclohexane-1,3-dione

CAS No.:
893727-50-9
Catalog Number:
AG01A0RH
Molecular Formula:
C17H20O3
Molecular Weight:
272.3389
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A0RH
Chemical Name:
5,5-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]cyclohexane-1,3-dione
CAS Number:
893727-50-9
Molecular Formula:
C17H20O3
Molecular Weight:
272.3389
MDL Number:
MFCD07364350
IUPAC Name:
5,5-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]cyclohexane-1,3-dione
InChI:
InChI=1S/C17H20O3/c1-11-4-6-12(7-5-11)14(18)8-13-15(19)9-17(2,3)10-16(13)20/h4-7,13H,8-10H2,1-3H3
InChI Key:
IGQXCNOHYWKSRS-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C1CC(=O)c1ccc(cc1)C
Properties
Complexity:
394  
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:
3  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties