CAS
97259-85-3 Purity
96%
97259-85-3 Purity
96%
![Calcium 2-[[[4-[[[[(oxidomethyl)amino]carbonyl]amino]sulfonyl]phenyl]amino]carbonyl]benzoate](https://resource.alfa-chemistry.com/structure/97259-91-1.gif)
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Butyl isononanoate
CAS
97259-92-2
Catalog Number
ACM97259922
Category
Other Products
Molecular Weight
214.344340 [g/mol]
Molecular Formula
C13H26O2
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Specification
Synonyms
Butyl isononanoate, EINECS 306-457-5, 97259-92-2
IUPAC Name
butyl 7-methyloctanoate
Canonical SMILES
CCCCOC(=O)CCCCCC(C)C
InChI Key
KDRCJAKUDFVQLB-UHFFFAOYSA-N
EC Number
306-457-5
Exact Mass
214.19300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Butyl isononanoate?
The molecular formula of Butyl isononanoate is C13H26O2.
What is the molecular weight of Butyl isononanoate?
The molecular weight of Butyl isononanoate is 214.34 g/mol.
What is the IUPAC Name of Butyl isononanoate?
The IUPAC Name of Butyl isononanoate is butyl 7-methyloctanoate.
What is the InChIKey of Butyl isononanoate?
The InChIKey of Butyl isononanoate is KDRCJAKUDFVQLB-UHFFFAOYSA-N.
What is the Canonical SMILES of Butyl isononanoate?
The Canonical SMILES of Butyl isononanoate is CCCCOC(=O)CCCCCC(C)C.
What is the CAS number of Butyl isononanoate?
The CAS number of Butyl isononanoate is 97259-92-2.
How many hydrogen bond acceptor counts does Butyl isononanoate have?
Butyl isononanoate has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of Butyl isononanoate?
The topological polar surface area of Butyl isononanoate is 26.3 Ų.
How many rotatable bond counts does Butyl isononanoate have?
Butyl isononanoate has 10 rotatable bond counts.
Is Butyl isononanoate a canonical compound?
Yes, Butyl isononanoate is a canonicalized compound.
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