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570-08-1 | Diethyl 2-acetylmalonate
CAS No: 570-08-1 Catalog No: AG0034Q3 MDL No:MFCD00026876
Product Description
Catalog Number:
AG0034Q3
Chemical Name:
Diethyl 2-acetylmalonate
CAS Number:
570-08-1
Molecular Formula:
C9H14O5
Molecular Weight:
202.2045
MDL Number:
MFCD00026876
IUPAC Name:
diethyl 2-acetylpropanedioate
InChI:
InChI=1S/C9H14O5/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3
InChI Key:
SQAUUQRBOCJRCW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)C(=O)C
Properties
Complexity:
215
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:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| A new and efficient synthesis of substituted 6-[(2'-dialkylamino)ethyl] pyrimidine and 4-N,N-dialkyl-6-vinyl-cytosine derivatives and evaluation of their anti-rubella activity. | Bioorganic & medicinal chemistry 20020701 |
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