Home Other Building Blocks 3-ethyl-3-(4-methylphenyl)oxolane-2,5-dione

3-ethyl-3-(4-methylphenyl)oxolane-2,5-dione

CAS No.:
1094328-65-0
Catalog Number:
AG01BCXB
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
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Product Description
Catalog Number:
AG01BCXB
Chemical Name:
3-ethyl-3-(4-methylphenyl)oxolane-2,5-dione
CAS Number:
1094328-65-0
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD11134333
IUPAC Name:
3-ethyl-3-(4-methylphenyl)oxolane-2,5-dione
InChI:
InChI=1S/C13H14O3/c1-3-13(8-11(14)16-12(13)15)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChI Key:
SOQAYLWCCUWIFB-UHFFFAOYSA-N
SMILES:
CCC1(CC(=O)OC1=O)c1ccc(cc1)C
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties