Home Other Building Blocks 1-(oxan-3-yl)propan-1-one

1-(oxan-3-yl)propan-1-one

CAS No.:
1187468-62-7
Catalog Number:
AG01BTKK
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
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Product Description
Catalog Number:
AG01BTKK
Chemical Name:
1-(oxan-3-yl)propan-1-one
CAS Number:
1187468-62-7
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD21193661
IUPAC Name:
1-(oxan-3-yl)propan-1-one
InChI:
InChI=1S/C8H14O2/c1-2-8(9)7-4-3-5-10-6-7/h7H,2-6H2,1H3
InChI Key:
FGHQPNYAHBYNOH-UHFFFAOYSA-N
SMILES:
CCC(=O)C1CCCOC1
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:
0.7  
Properties