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86633-09-2 | Propanedioic acid, methylene-, bis(1,1-dimethylethyl) ester
CAS No: 86633-09-2 Catalog No: AG004OKE MDL No:
Product Description
Catalog Number:
AG004OKE
Chemical Name:
Propanedioic acid, methylene-, bis(1,1-dimethylethyl) ester
CAS Number:
86633-09-2
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
IUPAC Name:
ditert-butyl 2-methylidenepropanedioate
InChI:
InChI=1S/C12H20O4/c1-8(9(13)15-11(2,3)4)10(14)16-12(5,6)7/h1H2,2-7H3
InChI Key:
LPEDZARVHHELPJ-UHFFFAOYSA-N
SMILES:
C=C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Enhanced stereoselectivity of a Cu(II) complex chiral auxiliary in the synthesis of Fmoc-L-γ-carboxyglutamic acid. | The Journal of organic chemistry 20110318 |
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