Home Other Building Blocks 1-(1,4-dioxan-2-yl)ethan-1-one

1-(1,4-dioxan-2-yl)ethan-1-one

CAS No.:
15957-23-0
Catalog Number:
AG01A02J
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
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Product Description
Catalog Number:
AG01A02J
Chemical Name:
1-(1,4-dioxan-2-yl)ethan-1-one
CAS Number:
15957-23-0
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD21194276
IUPAC Name:
1-(1,4-dioxan-2-yl)ethanone
InChI:
InChI=1S/C6H10O3/c1-5(7)6-4-8-2-3-9-6/h6H,2-4H2,1H3
InChI Key:
UBUGZBNRJIFIRK-UHFFFAOYSA-N
SMILES:
CC(=O)C1COCCO1
Properties
Complexity:
111  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties