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

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

CAS No.:
1443981-45-0
Catalog Number:
AG01A5N2
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
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Product Description
Catalog Number:
AG01A5N2
Chemical Name:
1-(oxan-3-yl)ethan-1-one
CAS Number:
1443981-45-0
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD21188429
IUPAC Name:
1-(oxan-3-yl)ethanone
InChI:
InChI=1S/C7H12O2/c1-6(8)7-3-2-4-9-5-7/h7H,2-5H2,1H3
InChI Key:
OYUIDNXVSDOHKE-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCCOC1
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:
0.3  
Properties