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Home Other Building Blocks Dimethyl methylsuccinate

Dimethyl methylsuccinate

CAS No.:
1604-11-1
Catalog Number:
AG003PM8
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$49
- +
25g
95%
In Stock USA
United States
$126
- +
Product Description
Catalog Number:
AG003PM8
Chemical Name:
Dimethyl methylsuccinate
CAS Number:
1604-11-1
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
MDL Number:
MFCD00008449
IUPAC Name:
dimethyl 2-methylbutanedioate
InChI:
InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3
InChI Key:
NFOQJNGQQXICBY-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(=O)OC)C
EC Number:
216-506-1
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Stereocomplementary bioreduction of alpha,beta-unsaturated dicarboxylic acids and dimethyl esters using enoate reductases: enzyme- and substrate-based stereocontrol. Organic letters 20071220
A new approach for asymmetric synthesis of (R)-3-methylpyrrolidine alkaloids from (S)-malic acid. Natural product letters 20020201
Chiral bicyclic phosphoramidites--a new class of ligands for asymmetric catalysis. Chemistry (Weinheim an der Bergstrasse, Germany) 20010202
Properties