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Home Other Building Blocks Dimethyl acetylsuccinate

Dimethyl acetylsuccinate

CAS No.:
10420-33-4
Catalog Number:
AG00382P
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$33
- +
25g
95%
In Stock USA
United States
$53
- +
100g
95%
In Stock USA
United States
$76
- +
500g
95%
In Stock USA
United States
$175
- +
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
Properties