Home Other Building Blocks 1-(5,6-dihydro-1,4-dioxin-2-yl)ethan-1-one

1-(5,6-dihydro-1,4-dioxin-2-yl)ethan-1-one

CAS No.:
59602-14-1
Catalog Number:
AG01A05S
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
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Product Description
Catalog Number:
AG01A05S
Chemical Name:
1-(5,6-dihydro-1,4-dioxin-2-yl)ethan-1-one
CAS Number:
59602-14-1
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD22378634
IUPAC Name:
1-(2,3-dihydro-1,4-dioxin-5-yl)ethanone
InChI:
InChI=1S/C6H8O3/c1-5(7)6-4-8-2-3-9-6/h4H,2-3H2,1H3
InChI Key:
QVVUUHOMKMHBCW-UHFFFAOYSA-N
SMILES:
CC(=O)C1=COCCO1
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties