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53064-79-2 | 2,2-Dimethylpropionic acid iodomethyl ester
CAS No: 53064-79-2 Catalog No: AG003516 MDL No:MFCD02179270
Product Description
Catalog Number:
AG003516
Chemical Name:
2,2-Dimethylpropionic acid iodomethyl ester
CAS Number:
53064-79-2
Molecular Formula:
C6H11IO2
Molecular Weight:
242.0548
MDL Number:
MFCD02179270
IUPAC Name:
iodomethyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C6H11IO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3
InChI Key:
PELJISAVHGXLAL-UHFFFAOYSA-N
SMILES:
ICOC(=O)C(C)(C)C
EC Number:
258-339-7
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.98g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.056g/mol
Monoisotopic Mass:
241.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Radical one-pot α,β-dual and β-mono-oxymethylation of alkylidenemalonate. | The Journal of organic chemistry 20120706 |
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