Home Other Building Blocks 3,3-dimethyl-1,4-dioxan-2-one

3,3-dimethyl-1,4-dioxan-2-one

CAS No.:
66800-75-7
Catalog Number:
AG01B4GL
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
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Product Description
Catalog Number:
AG01B4GL
Chemical Name:
3,3-dimethyl-1,4-dioxan-2-one
CAS Number:
66800-75-7
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD29991778
IUPAC Name:
3,3-dimethyl-1,4-dioxan-2-one
InChI:
InChI=1S/C6H10O3/c1-6(2)5(7)8-3-4-9-6/h3-4H2,1-2H3
InChI Key:
BKHGTYGMRHXKIG-UHFFFAOYSA-N
SMILES:
O=C1OCCOC1(C)C
Properties
Complexity:
128  
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:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties