CAS
947534-80-7 Purity
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947534-80-7 Purity
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![4-Chloro-[[2-[[[(1,1-dimethylethoxy)carbonyl]amino]iminomethyl]benzo[b]thien-6-yl]oxy]-benzeneacetic acid methyl ester](https://resource.alfa-chemistry.com/structure/947590-61-6.gif)
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Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate
CAS
947-57-9
Catalog Number
ACM947579
Category
Other Products
Molecular Weight
208.22
Molecular Formula
C11H12O4
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Specification
Synonyms
NSC196236, CID136763, NSC110583, Dimethyl bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylate, Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid, dimethyl ester, Dimethyl bicyclo(2.2.1)-2,5-heptadiene-2,3-dicarboxylate, Dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate, 947-57-9, DIMETHYL BICYCLO[2,2,1]2,5-HEPTADIENE-2,3-DICARBOXYLATE
IUPAC Name
dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Canonical SMILES
COC(=O)C1=C(C2CC1C=C2)C(=O)OC
InChI Key
WFKWXJMEUOLYOS-UHFFFAOYSA-N
Boiling Point
285.9ºC at 760 mmHg
Flash Point
139.2ºC
Density
1.277g/cm³
Exact Mass
208.07400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate?
The molecular formula of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate is C11H12O4.
When was Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate created?
Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate was created on 2005-03-26.
What is the molecular weight of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate?
The molecular weight of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate is 208.21 g/mol.
What is the IUPAC name of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate?
The IUPAC name of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate is dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.
What is the InChI key of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate?
The InChI key of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate is WFKWXJMEUOLYOS-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate have?
Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate has 4 hydrogen bond acceptors.
What is the Canonical SMILES of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate?
The Canonical SMILES of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate is COC(=O)C1=C(C2CC1C=C2)C(=O)OC.
How many rotatable bond counts does Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate have?
Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate has 4 rotatable bond counts.
What is the XLogP3-AA value of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate?
The XLogP3-AA value of Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate is 1.2.
Is Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate a canonicalized compound?
Yes, Dimethyl bicyclo[2,2,1]2,5-heptadiene-2,3-dicarboxylate is a canonicalized compound.
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