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161972-09-4 | Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-
CAS No: 161972-09-4 Catalog No: AG001SKQ MDL No:MFCD21603970
Product Description
Catalog Number:
AG001SKQ
Chemical Name:
Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-
CAS Number:
161972-09-4
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD21603970
IUPAC Name:
1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanone
InChI:
InChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h6H,4H2,1-3H3
InChI Key:
VNEBKVJPKDAIIM-UHFFFAOYSA-N
SMILES:
CC(=O)C1COC(O1)(C)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Highly diastereoselective cyanation of methyl ketimines obtained from (R)-glyceraldehyde. | The Journal of organic chemistry 20051125 |
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