Home Other Building Blocks 2-propyloxan-4-one

2-propyloxan-4-one

CAS No.:
13519-42-1
Catalog Number:
AG01AI92
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
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Product Description
Catalog Number:
AG01AI92
Chemical Name:
2-propyloxan-4-one
CAS Number:
13519-42-1
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD19650734
IUPAC Name:
2-propyloxan-4-one
InChI:
InChI=1S/C8H14O2/c1-2-3-8-6-7(9)4-5-10-8/h8H,2-6H2,1H3
InChI Key:
HFDVOWYGLVKDBQ-UHFFFAOYSA-N
SMILES:
CCCC1CC(=O)CCO1
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties