Home Other Building Blocks 4-ethyloxane-2,6-dione

4-ethyloxane-2,6-dione

CAS No.:
43080-12-2
Catalog Number:
AG01EIJ3
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
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Product Description
Catalog Number:
AG01EIJ3
Chemical Name:
4-ethyloxane-2,6-dione
CAS Number:
43080-12-2
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD31616858
IUPAC Name:
4-ethyloxane-2,6-dione
InChI:
InChI=1S/C7H10O3/c1-2-5-3-6(8)10-7(9)4-5/h5H,2-4H2,1H3
InChI Key:
YIEQRBOBYGITMJ-UHFFFAOYSA-N
SMILES:
CCC1CC(=O)OC(=O)C1
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties