CAS
996-78-1 Purity
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996-78-1 Purity
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![Methyl 2-[[[5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]methylene]amino]benzoate](https://resource.alfa-chemistry.com/structure/99688-46-7.gif)
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Diethyl 2-oxohexane-1,6-dicarboxylate
CAS
99683-30-4
Catalog Number
ACM99683304
Category
Other Products
Molecular Weight
216.23
Molecular Formula
C10H16O5
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Specification
Synonyms
DIETHYL 2-OXOHEXANE-1,6-DICARBOXYLATE
IUPAC Name
diethyl 2-oxohexanedioate
Canonical SMILES
CCOC(=O)CCCC(=O)C(=O)OCC
InChI Key
LRSVGRBPVQKHQT-UHFFFAOYSA-N
Boiling Point
300.335ºC at 760 mmHg
Flash Point
129.028ºC
Density
1.094g/cm³
Exact Mass
216.10000
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Diethyl 2-oxohexane-1,6-dicarboxylate?
The molecular formula of Diethyl 2-oxohexane-1,6-dicarboxylate is C10H16O5.
What are some synonyms for Diethyl 2-oxohexane-1,6-dicarboxylate?
Some synonyms for Diethyl 2-oxohexane-1,6-dicarboxylate include DIETHYL 2-OXOHEXANE-1,6-DICARBOXYLATE, Diethyl 2-oxohexanedioate, and Hexanedioic acid, 2-oxo-, diethyl ester.
What is the molecular weight of Diethyl 2-oxohexane-1,6-dicarboxylate?
The molecular weight of Diethyl 2-oxohexane-1,6-dicarboxylate is 216.23 g/mol.
When was Diethyl 2-oxohexane-1,6-dicarboxylate created according to PubChem?
Diethyl 2-oxohexane-1,6-dicarboxylate was created on October 26, 2006.
What is the InChIKey of Diethyl 2-oxohexane-1,6-dicarboxylate?
The InChIKey of Diethyl 2-oxohexane-1,6-dicarboxylate is LRSVGRBPVQKHQT-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Diethyl 2-oxohexane-1,6-dicarboxylate have?
Diethyl 2-oxohexane-1,6-dicarboxylate has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of Diethyl 2-oxohexane-1,6-dicarboxylate?
The topological polar surface area of Diethyl 2-oxohexane-1,6-dicarboxylate is 69.7 Ų.
Is Diethyl 2-oxohexane-1,6-dicarboxylate a canonical compound?
Yes, Diethyl 2-oxohexane-1,6-dicarboxylate is a canonicalized compound.
How many rotatable bond counts does Diethyl 2-oxohexane-1,6-dicarboxylate have?
Diethyl 2-oxohexane-1,6-dicarboxylate has 9 rotatable bond counts.
What is the complexity value of Diethyl 2-oxohexane-1,6-dicarboxylate?
The complexity value of Diethyl 2-oxohexane-1,6-dicarboxylate is 234.
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