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Home Carboxys Dimethyl 1,3-acetonedicarboxylate

Dimethyl 1,3-acetonedicarboxylate

CAS No.:
1830-54-2
Catalog Number:
AG0034QV
Molecular Formula:
C7H10O5
Molecular Weight:
174.1513
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$25
- +
100g
96%
In Stock USA
United States
$63
- +
500g
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0034QV
Chemical Name:
Dimethyl 1,3-acetonedicarboxylate
CAS Number:
1830-54-2
Molecular Formula:
C7H10O5
Molecular Weight:
174.1513
MDL Number:
MFCD00008462
IUPAC Name:
dimethyl 3-oxopentanedioate
InChI:
InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3
InChI Key:
RNJOKCPFLQMDEC-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)CC(=O)OC
EC Number:
217-385-8
NSC Number:
4677
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.152g/mol
Monoisotopic Mass:
174.053g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Diphenylprolinol silyl ether catalysis in an asymmetric formal carbo [3 + 3] cycloaddition reaction via a domino Michael/Knoevenagel condensation. Organic letters 20090101
Bis-enaminone based parallel solution-phase synthesis of 1,4-dihydropyridine derivatives. Journal of combinatorial chemistry 20090101
Methyl 6-methoxy-carbonyl-methyl-2-oxo-4-phenyl-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20080901
Chemo- and stereoselective reaction between alkyl isocyanides and dimethyl 1,3-acetonedicarbocxylate in the presence of acetylenic esters. Molecular diversity 20070501
Properties