Home Other Building Blocks 4-ethyloxan-3-one

4-ethyloxan-3-one

CAS No.:
1528577-04-9
Catalog Number:
AG01DVJO
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
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Product Description
Catalog Number:
AG01DVJO
Chemical Name:
4-ethyloxan-3-one
CAS Number:
1528577-04-9
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD31617231
IUPAC Name:
4-ethyloxan-3-one
InChI:
InChI=1S/C7H12O2/c1-2-6-3-4-9-5-7(6)8/h6H,2-5H2,1H3
InChI Key:
SJGRHFSBADOEGU-UHFFFAOYSA-N
SMILES:
CCC1CCOCC1=O
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties