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Home Carboxys Diethyl 1,3-acetonedicarboxylate

Diethyl 1,3-acetonedicarboxylate

CAS No.:
105-50-0
Catalog Number:
AG0034PX
Molecular Formula:
C9H14O5
Molecular Weight:
202.2045
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$25
- +
100g
95%
In Stock USA
United States
$75
- +
500g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0034PX
Chemical Name:
Diethyl 1,3-acetonedicarboxylate
CAS Number:
105-50-0
Molecular Formula:
C9H14O5
Molecular Weight:
202.2045
MDL Number:
MFCD00009200
IUPAC Name:
diethyl 3-oxopentanedioate
InChI:
InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3
InChI Key:
ZSANYRMTSBBUCA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)CC(=O)OCC
EC Number:
203-302-2
UNII:
Q0CC9NL00V
NSC Number:
9013
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.206g/mol
Monoisotopic Mass:
202.084g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Selective inhibitory action of Biginelli-type dihydropyrimidines on depolarization-induced arterial smooth muscle contraction. The Journal of pharmacy and pharmacology 20120501
Ethyl 6-ethoxy-carbonyl-methyl-4-(2-hydroxy-phen-yl)-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20080601
Properties