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609-09-6 | Diethyl 2-oxomalonate
CAS No: 609-09-6 Catalog No: AG0034QE MDL No:MFCD00009121
Product Description
Catalog Number:
AG0034QE
Chemical Name:
Diethyl 2-oxomalonate
CAS Number:
609-09-6
Molecular Formula:
C7H10O5
Molecular Weight:
174.1513
MDL Number:
MFCD00009121
IUPAC Name:
diethyl 2-oxopropanedioate
InChI:
InChI=1S/C7H10O5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4H2,1-2H3
InChI Key:
DBKKFIIYQGGHJO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C(=O)OCC
EC Number:
210-176-2
UNII:
H28C8N13IK
NSC Number:
53478
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:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis, crystal structure and anticancer activity of novel derivatives of ethyl 1-(4-oxo-8-aryl-4,6,7,8-tetrahydroimidazo[2,1-c][1,2,4]triazin-3-yl)formate. | European journal of medicinal chemistry 20060401 |
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