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1830-54-2 | Dimethyl 1,3-Acetonedicarboxylate
CAS No: 1830-54-2 Catalog No: AG0034QV MDL No:MFCD00008462
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 |
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