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10420-33-4 | Dimethyl Acetylsuccinate
CAS No: 10420-33-4 Catalog No: AG00382P MDL No:MFCD00008448
Product Description
Catalog Number:
AG00382P
Chemical Name:
Dimethyl Acetylsuccinate
CAS Number:
10420-33-4
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
MDL Number:
MFCD00008448
IUPAC Name:
dimethyl 2-acetylbutanedioate
InChI:
InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3
InChI Key:
XREKLQOUFWBSFH-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(=O)OC)C(=O)C
EC Number:
233-897-4
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.179g/mol
Monoisotopic Mass:
188.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Access to new 2-oxofuro[2,3-b]pyrroles and 2-methylenepyrroles through the reaction of 1,2-diaza-1,3-butadienes and gamma-ketoesters. | The Journal of organic chemistry 20040416 |
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